6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine

C14H12ClN3O — CID 115470387

IUPAC6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
SMILESCOc1cccc(-n2c(N)nc3ccc(Cl)cc32)c1
InChIInChI=1S/C14H12ClN3O/c1-19-11-4-2-3-10(8-11)18-13-7-9(15)5-6-12(13)17-14(18)16/h2-8H,1H3,(H2,16,17)
InChIKeyAQTFVXLUCVTBLM-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.27
Rot. Bonds2

About 6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine

6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine (PubChem CID 115470387) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
PubChem CID115470387
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
SMILESCOc1cccc(-n2c(N)nc3ccc(Cl)cc32)c1
InChIInChI=1S/C14H12ClN3O/c1-19-11-4-2-3-10(8-11)18-13-7-9(15)5-6-12(13)17-14(18)16/h2-8H,1H3,(H2,16,17)
InChIKeyAQTFVXLUCVTBLM-UHFFFAOYSA-N
XLogP3.27
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole
CID 115470981
6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 65347117
1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine
CID 113316148
6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine
CID 115470423
2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714790
6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 62531537
1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine
CID 104779956
5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 66081189
1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine
CID 115552236
6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
CID 82820117
6-chloro-1-(2-methylphenyl)benzimidazol-2-amine
CID 115470391
6-chloro-1-(4-propylphenyl)benzimidazol-2-amine
CID 115470439

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine (CID 115470387) is 6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine is COc1cccc(-n2c(N)nc3ccc(Cl)cc32)c1.
What is the InChIKey of 6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine?
The InChIKey is AQTFVXLUCVTBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-19-11-4-2-3-10(8-11)18-13-7-9(15)5-6-12(13)17-14(18)16/h2-8H,1H3,(H2,16,17).
What are the key properties of 6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine?
6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine has a molecular weight of 273.72 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine is sourced from PubChem (CID 115470387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).