4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine

C14H11Cl2N3O — CID 104836895

IUPAC4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
SMILESCOc1ccc(-n2c(N)nc3c(Cl)cccc32)cc1Cl
InChIInChI=1S/C14H11Cl2N3O/c1-20-12-6-5-8(7-10(12)16)19-11-4-2-3-9(15)13(11)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyAYRLKUZTQQLWGP-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.92
Rot. Bonds2

About 4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine

4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine (PubChem CID 104836895) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
PubChem CID104836895
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
SMILESCOc1ccc(-n2c(N)nc3c(Cl)cccc32)cc1Cl
InChIInChI=1S/C14H11Cl2N3O/c1-20-12-6-5-8(7-10(12)16)19-11-4-2-3-9(15)13(11)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyAYRLKUZTQQLWGP-UHFFFAOYSA-N
XLogP3.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(3-methylphenyl)benzimidazol-2-amine
CID 104836856
2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile
CID 107622292
4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine
CID 104836818
1-(4-bromophenyl)-4-chlorobenzimidazol-2-amine
CID 113459008
6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 65346975
1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridin-2-amine
CID 79296335
2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714818
1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60790457
4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine
CID 104836835
4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole
CID 104837657
1-(3-bromo-4-methoxyphenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 104838359
1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine
CID 82859398

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine (CID 104836895) is 4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine is COc1ccc(-n2c(N)nc3c(Cl)cccc32)cc1Cl.
What is the InChIKey of 4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine?
The InChIKey is AYRLKUZTQQLWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c1-20-12-6-5-8(7-10(12)16)19-11-4-2-3-9(15)13(11)18-14(19)17/h2-7H,1H3,(H2,17,18).
What are the key properties of 4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine?
4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine has a molecular weight of 308.17 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine is sourced from PubChem (CID 104836895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).