2-benzyl-1H-1,3-benzodiazol-5-amine

2-benzyl-1H-1,3-benzodiazol-5-amine

CAS: 108281-61-4

Formula: C14H13N3

SMILES: NC1=CC=C2NC(CC3=CC=CC=C3)=NC2=C1

IUPAC: 2-benzyl-1H-1,3-benzodiazol-5-amine

InChI: InChI=1S/C14H13N3/c15-11-6-7-12-13(9-11)17-14(16-12)8-10-4-2-1-3-5-10/h1-7,9H,8,15H2,(H,16,17)

Composition: C (75.31%), H (5.87%), N (18.82%)

Molar Mass: 223.279

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	223.110947431
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	MQTBODNTRQAUSK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.83
Topological Polar Surface Area	54.7
Polarizability	27.2
Ring Count	3
Rotatable Bond Count	2

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