4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline

C15H15N3 — CID 121004860

IUPAC4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline
SMILESCc1cc(-c2nc3ccccc3[nH]2)cc(C)c1N
InChIInChI=1S/C15H15N3/c1-9-7-11(8-10(2)14(9)16)15-17-12-5-3-4-6-13(12)18-15/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyIECUMQHEWQLQJB-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.43
Rot. Bonds1

About 4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline

4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline (PubChem CID 121004860) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline
PubChem CID121004860
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline
SMILESCc1cc(-c2nc3ccccc3[nH]2)cc(C)c1N
InChIInChI=1S/C15H15N3/c1-9-7-11(8-10(2)14(9)16)15-17-12-5-3-4-6-13(12)18-15/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyIECUMQHEWQLQJB-UHFFFAOYSA-N
XLogP3.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline 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

4-(1H-benzimidazol-2-yl)-2-chloro-6-methylaniline
CID 139992920
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-[3-methyl-4-(1,2,4-triazol-4-yl)phenyl]-1H-benzimidazole
CID 50879825
4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine
CID 59071986
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
2-[6-(1H-benzimidazol-2-yl)-4-[4-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-2-pyridinyl]-1H-benzimidazole
CID 59359581
2-(1H-benzimidazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine
CID 728731

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline (CID 121004860) is 4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline is Cc1cc(-c2nc3ccccc3[nH]2)cc(C)c1N.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline?
The InChIKey is IECUMQHEWQLQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-9-7-11(8-10(2)14(9)16)15-17-12-5-3-4-6-13(12)18-15/h3-8H,16H2,1-2H3,(H,17,18).
What are the key properties of 4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline?
4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline has a molecular weight of 237.31 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline is sourced from PubChem (CID 121004860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).