2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline

C14H12ClN3O — CID 107049937

IUPAC2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline
SMILESCOc1ccc2nc(-c3cccc(Cl)c3N)[nH]c2c1
InChIInChI=1S/C14H12ClN3O/c1-19-8-5-6-11-12(7-8)18-14(17-11)9-3-2-4-10(15)13(9)16/h2-7H,16H2,1H3,(H,17,18)
InChIKeyWHCNOAVPEDWSLD-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.47
Rot. Bonds2

About 2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline

2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline (PubChem CID 107049937) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline
PubChem CID107049937
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline
SMILESCOc1ccc2nc(-c3cccc(Cl)c3N)[nH]c2c1
InChIInChI=1S/C14H12ClN3O/c1-19-8-5-6-11-12(7-8)18-14(17-11)9-3-2-4-10(15)13(9)16/h2-7H,16H2,1H3,(H,17,18)
InChIKeyWHCNOAVPEDWSLD-UHFFFAOYSA-N
XLogP3.47
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 107049902
2-(2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017607
6-methoxy-2-naphthalen-1-yl-1H-benzimidazole
CID 65017512
2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline
CID 107049774
2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65018051
3-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 754001
5-carbamoyl-2-[2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)phenyl]benzoic acid
CID 155004086
3-(6-methoxy-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine
CID 65017726
2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine
CID 65017722
4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol
CID 135905264
2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole
CID 65017877
6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
CID 60646512

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline (CID 107049937) is 2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline is COc1ccc2nc(-c3cccc(Cl)c3N)[nH]c2c1.
What is the InChIKey of 2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline?
The InChIKey is WHCNOAVPEDWSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-19-8-5-6-11-12(7-8)18-14(17-11)9-3-2-4-10(15)13(9)16/h2-7H,16H2,1H3,(H,17,18).
What are the key properties of 2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline?
2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline has a molecular weight of 273.72 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 107049937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).