4-(aminomethyl)-1-benzylbenzimidazol-2-amine

C15H16N4 — CID 84804264

IUPAC4-(aminomethyl)-1-benzylbenzimidazol-2-amine
SMILESNCc1cccc2c1nc(N)n2Cc1ccccc1
InChIInChI=1S/C15H16N4/c16-9-12-7-4-8-13-14(12)18-15(17)19(13)10-11-5-2-1-3-6-11/h1-8H,9-10,16H2,(H2,17,18)
InChIKeyRUQBVDQLZFPMKV-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.13
Rot. Bonds3

About 4-(aminomethyl)-1-benzylbenzimidazol-2-amine

4-(aminomethyl)-1-benzylbenzimidazol-2-amine (PubChem CID 84804264) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(aminomethyl)-1-benzylbenzimidazol-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-benzylbenzimidazol-2-amine
PubChem CID84804264
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name4-(aminomethyl)-1-benzylbenzimidazol-2-amine
SMILESNCc1cccc2c1nc(N)n2Cc1ccccc1
InChIInChI=1S/C15H16N4/c16-9-12-7-4-8-13-14(12)18-15(17)19(13)10-11-5-2-1-3-6-11/h1-8H,9-10,16H2,(H2,17,18)
InChIKeyRUQBVDQLZFPMKV-UHFFFAOYSA-N
XLogP2.13
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-1-ethylbenzimidazol-2-amine
CID 166683889
4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 54920355
4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine
CID 84776913
1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine
CID 60789953
[1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine
CID 104721579
1-benzyl-4,6-dimethylbenzimidazol-2-amine
CID 91671833
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
CID 106900318
4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
CID 60788968
1-benzyl-2-propylbenzimidazol-4-amine
CID 82067310
1-benzyl-2,4-dimethylbenzimidazole
CID 14933027
1-(pyridin-4-ylmethyl)benzimidazol-2-amine
CID 43148815
4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 104837197

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-benzylbenzimidazol-2-amine?
The IUPAC name of 4-(aminomethyl)-1-benzylbenzimidazol-2-amine (CID 84804264) is 4-(aminomethyl)-1-benzylbenzimidazol-2-amine.
What is the SMILES notation for 4-(aminomethyl)-1-benzylbenzimidazol-2-amine?
The canonical SMILES for 4-(aminomethyl)-1-benzylbenzimidazol-2-amine is NCc1cccc2c1nc(N)n2Cc1ccccc1.
What is the InChIKey of 4-(aminomethyl)-1-benzylbenzimidazol-2-amine?
The InChIKey is RUQBVDQLZFPMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c16-9-12-7-4-8-13-14(12)18-15(17)19(13)10-11-5-2-1-3-6-11/h1-8H,9-10,16H2,(H2,17,18).
What are the key properties of 4-(aminomethyl)-1-benzylbenzimidazol-2-amine?
4-(aminomethyl)-1-benzylbenzimidazol-2-amine has a molecular weight of 252.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-benzylbenzimidazol-2-amine is sourced from PubChem (CID 84804264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).