1-benzyl-4,6-dimethylbenzimidazol-2-amine

C16H17N3 — CID 91671833

IUPAC1-benzyl-4,6-dimethylbenzimidazol-2-amine
SMILESCc1cc(C)c2nc(N)n(Cc3ccccc3)c2c1
InChIInChI=1S/C16H17N3/c1-11-8-12(2)15-14(9-11)19(16(17)18-15)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,17,18)
InChIKeyHJYVWJVAZOBRNO-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.28
Rot. Bonds2

About 1-benzyl-4,6-dimethylbenzimidazol-2-amine

1-benzyl-4,6-dimethylbenzimidazol-2-amine (PubChem CID 91671833) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-benzyl-4,6-dimethylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-4,6-dimethylbenzimidazol-2-amine
PubChem CID91671833
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-benzyl-4,6-dimethylbenzimidazol-2-amine
SMILESCc1cc(C)c2nc(N)n(Cc3ccccc3)c2c1
InChIInChI=1S/C16H17N3/c1-11-8-12(2)15-14(9-11)19(16(17)18-15)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,17,18)
InChIKeyHJYVWJVAZOBRNO-UHFFFAOYSA-N
XLogP3.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine
CID 91671831
3-benzyl-2-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
CID 113232523
1-benzyl-2,4-dimethylbenzimidazole
CID 14933027
4-(aminomethyl)-1-benzylbenzimidazol-2-amine
CID 84804264
1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
CID 66079066
3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine
CID 113228770
1-benzyl-5,7-dimethylindole-2-carboxylic acid
CID 83968494
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
CID 106900318
5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine
CID 54944327
1-benzylindol-2-amine
CID 91418343
1,4,5-tribenzylimidazol-2-amine
CID 139230439
4-benzyl-3,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-d]pyrazole
CID 21266647

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,6-dimethylbenzimidazol-2-amine?
The IUPAC name of 1-benzyl-4,6-dimethylbenzimidazol-2-amine (CID 91671833) is 1-benzyl-4,6-dimethylbenzimidazol-2-amine.
What is the SMILES notation for 1-benzyl-4,6-dimethylbenzimidazol-2-amine?
The canonical SMILES for 1-benzyl-4,6-dimethylbenzimidazol-2-amine is Cc1cc(C)c2nc(N)n(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-4,6-dimethylbenzimidazol-2-amine?
The InChIKey is HJYVWJVAZOBRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-8-12(2)15-14(9-11)19(16(17)18-15)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,17,18).
What are the key properties of 1-benzyl-4,6-dimethylbenzimidazol-2-amine?
1-benzyl-4,6-dimethylbenzimidazol-2-amine has a molecular weight of 251.33 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,6-dimethylbenzimidazol-2-amine is sourced from PubChem (CID 91671833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).