4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine

C14H12ClN3O2S — CID 104836835

IUPAC4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine
SMILESCS(=O)(=O)c1ccc(-n2c(N)nc3c(Cl)cccc32)cc1
InChIInChI=1S/C14H12ClN3O2S/c1-21(19,20)10-7-5-9(6-8-10)18-12-4-2-3-11(15)13(12)17-14(18)16/h2-8H,1H3,(H2,16,17)
InChIKeyXCVNICOUAYHFPV-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.66
Rot. Bonds2

About 4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine

4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine (PubChem CID 104836835) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine
PubChem CID104836835
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine
SMILESCS(=O)(=O)c1ccc(-n2c(N)nc3c(Cl)cccc32)cc1
InChIInChI=1S/C14H12ClN3O2S/c1-21(19,20)10-7-5-9(6-8-10)18-12-4-2-3-11(15)13(12)17-14(18)16/h2-8H,1H3,(H2,16,17)
InChIKeyXCVNICOUAYHFPV-UHFFFAOYSA-N
XLogP2.66
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-4-chlorobenzimidazol-2-amine
CID 113459008
4-chloro-1-(3-methylphenyl)benzimidazol-2-amine
CID 104836856
4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 104836895
4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184
4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine
CID 104836818
5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine
CID 66082771
4-chloro-1-(2,5-dichlorophenyl)benzimidazol-2-amine
CID 104836825
4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
CID 104837243
1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60790457
2-amino-1-phenylbenzimidazol-4-ol
CID 84790043
5-bromo-1-(4-methylsulfonylphenyl)-1,2,4-triazol-3-amine
CID 103099058
4-chloro-1-(1-phenylethyl)benzimidazol-2-amine
CID 104836790

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine (CID 104836835) is 4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine is CS(=O)(=O)c1ccc(-n2c(N)nc3c(Cl)cccc32)cc1.
What is the InChIKey of 4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine?
The InChIKey is XCVNICOUAYHFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c1-21(19,20)10-7-5-9(6-8-10)18-12-4-2-3-11(15)13(12)17-14(18)16/h2-8H,1H3,(H2,16,17).
What are the key properties of 4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine?
4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine has a molecular weight of 321.79 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 104836835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).