2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline

C15H14ClN3 — CID 107049902

IUPAC2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
SMILESCc1cc2nc(-c3cccc(Cl)c3N)[nH]c2cc1C
InChIInChI=1S/C15H14ClN3/c1-8-6-12-13(7-9(8)2)19-15(18-12)10-4-3-5-11(16)14(10)17/h3-7H,17H2,1-2H3,(H,18,19)
InChIKeyDKSYKHXEDOTPGP-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.08
Rot. Bonds1

About 2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline

2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline (PubChem CID 107049902) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
PubChem CID107049902
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
SMILESCc1cc2nc(-c3cccc(Cl)c3N)[nH]c2cc1C
InChIInChI=1S/C15H14ClN3/c1-8-6-12-13(7-9(8)2)19-15(18-12)10-4-3-5-11(16)14(10)17/h3-7H,17H2,1-2H3,(H,18,19)
InChIKeyDKSYKHXEDOTPGP-UHFFFAOYSA-N
XLogP4.08
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)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

2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline
CID 107049774
2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole
CID 56737110
2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 107049937
2-(2,5-dichlorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185574
4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline
CID 95909583
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 79630922
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-fluoroaniline
CID 107793624
2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 56736961
5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine
CID 56736956
4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349
2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole
CID 135804648
2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 63495096

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline (CID 107049902) is 2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline is Cc1cc2nc(-c3cccc(Cl)c3N)[nH]c2cc1C.
What is the InChIKey of 2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline?
The InChIKey is DKSYKHXEDOTPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-8-6-12-13(7-9(8)2)19-15(18-12)10-4-3-5-11(16)14(10)17/h3-7H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline?
2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline has a molecular weight of 271.75 g/mol, XLogP of 4.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 107049902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).