6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine

C15H14ClN3O2 — CID 115470423

IUPAC6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine
SMILESCOc1ccc(-n2c(N)nc3ccc(Cl)cc32)c(OC)c1
InChIInChI=1S/C15H14ClN3O2/c1-20-10-4-6-12(14(8-10)21-2)19-13-7-9(16)3-5-11(13)18-15(19)17/h3-8H,1-2H3,(H2,17,18)
InChIKeyZCICZRUZIHRFCZ-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.28
Rot. Bonds3

About 6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine

6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine (PubChem CID 115470423) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine
PubChem CID115470423
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine
SMILESCOc1ccc(-n2c(N)nc3ccc(Cl)cc32)c(OC)c1
InChIInChI=1S/C15H14ClN3O2/c1-20-10-4-6-12(14(8-10)21-2)19-13-7-9(16)3-5-11(13)18-15(19)17/h3-8H,1-2H3,(H2,17,18)
InChIKeyZCICZRUZIHRFCZ-UHFFFAOYSA-N
XLogP3.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 115470387
5-chloro-1-(2-methoxyphenyl)benzimidazol-2-amine
CID 43659394
4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile
CID 104849631
1-(2,5-dimethoxyphenyl)benzimidazol-2-amine
CID 43148885
6-chloro-1-(2-methylphenyl)benzimidazol-2-amine
CID 115470391
1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598050
6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine
CID 107645401
2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714937
5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine
CID 103415731
6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine
CID 115470604
6-chloro-1-(2,5-dibromophenyl)benzimidazol-2-amine
CID 115470480
1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine
CID 104779956

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine (CID 115470423) is 6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine is COc1ccc(-n2c(N)nc3ccc(Cl)cc32)c(OC)c1.
What is the InChIKey of 6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine?
The InChIKey is ZCICZRUZIHRFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-20-10-4-6-12(14(8-10)21-2)19-13-7-9(16)3-5-11(13)18-15(19)17/h3-8H,1-2H3,(H2,17,18).
What are the key properties of 6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine?
6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine has a molecular weight of 303.75 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine is sourced from PubChem (CID 115470423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).