3-(1H-benzimidazol-2-ylmethyl)aniline

C14H13N3 — CID 65346591

IUPAC3-(1H-benzimidazol-2-ylmethyl)aniline
SMILESNc1cccc(Cc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H13N3/c15-11-5-3-4-10(8-11)9-14-16-12-6-1-2-7-13(12)17-14/h1-8H,9,15H2,(H,16,17)
InChIKeyYCICADUXPJHXGT-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.74
Rot. Bonds2

About 3-(1H-benzimidazol-2-ylmethyl)aniline

3-(1H-benzimidazol-2-ylmethyl)aniline (PubChem CID 65346591) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylmethyl)aniline
PubChem CID65346591
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name3-(1H-benzimidazol-2-ylmethyl)aniline
SMILESNc1cccc(Cc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H13N3/c15-11-5-3-4-10(8-11)9-14-16-12-6-1-2-7-13(12)17-14/h1-8H,9,15H2,(H,16,17)
InChIKeyYCICADUXPJHXGT-UHFFFAOYSA-N
XLogP2.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(1H-benzimidazol-2-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride
CID 43829289
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethyl)aniline
CID 65346593
2-[(3-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820939
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
3-[(4-methylsulfonyl-1H-benzimidazol-2-yl)methyl]aniline
CID 82000584
2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole
CID 139695649
2-[3-[2-amino-1,3-bis(1H-benzimidazol-2-yl)propan-2-yl]phenyl]-1,3-bis(1H-benzimidazol-2-yl)propan-2-amine
CID 54575003
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500
2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637718
2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole
CID 3094288
6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine
CID 96604108
2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole
CID 62537868

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)aniline?
The IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)aniline (CID 65346591) is 3-(1H-benzimidazol-2-ylmethyl)aniline.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylmethyl)aniline?
The canonical SMILES for 3-(1H-benzimidazol-2-ylmethyl)aniline is Nc1cccc(Cc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylmethyl)aniline?
The InChIKey is YCICADUXPJHXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c15-11-5-3-4-10(8-11)9-14-16-12-6-1-2-7-13(12)17-14/h1-8H,9,15H2,(H,16,17).
What are the key properties of 3-(1H-benzimidazol-2-ylmethyl)aniline?
3-(1H-benzimidazol-2-ylmethyl)aniline has a molecular weight of 223.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylmethyl)aniline is sourced from PubChem (CID 65346591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).