1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide

C22H20ClN3O2S — CID 2961516

IUPAC1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide
SMILESCC(c1ccccc1)n1cnc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21
InChIInChI=1S/C22H20ClN3O2S/c1-16(17-7-3-2-4-8-17)26-15-24-21-13-19(11-12-22(21)26)25-29(27,28)14-18-9-5-6-10-20(18)23/h2-13,15-16,25H,14H2,1H3
InChIKeyLGZJDOMWASTSDR-UHFFFAOYSA-N
MW425.94 g/mol
LogP5.24
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide

1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide (PubChem CID 2961516) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide
PubChem CID2961516
Molecular FormulaC22H20ClN3O2S
Molecular Weight425.94 g/mol
Exact Mass425.10
IUPAC Name1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide
SMILESCC(c1ccccc1)n1cnc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21
InChIInChI=1S/C22H20ClN3O2S/c1-16(17-7-3-2-4-8-17)26-15-24-21-13-19(11-12-22(21)26)25-29(27,28)14-18-9-5-6-10-20(18)23/h2-13,15-16,25H,14H2,1H3
InChIKeyLGZJDOMWASTSDR-UHFFFAOYSA-N
XLogP5.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.94
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide
CID 110728613
N-[(2-chlorophenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine
CID 22427236
2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide
CID 110779166
1-[(1S)-1-phenylethyl]benzimidazol-5-amine
CID 687989
N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
CID 110779145
1-(2-chlorophenyl)-N-(5-methyl-3-pyridinyl)methanesulfonamide
CID 110727363
3-[5-(benzenesulfonamido)benzimidazol-1-yl]-3-phenylpropanoic acid
CID 11668964
1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide
CID 3944658
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571
1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
CID 110778591
N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide
CID 3991135
1-(2-chlorophenyl)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)methanesulfonamide
CID 50800424

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide (CID 2961516) is 1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide is CC(c1ccccc1)n1cnc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21.
What is the InChIKey of 1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide?
The InChIKey is LGZJDOMWASTSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/c1-16(17-7-3-2-4-8-17)26-15-24-21-13-19(11-12-22(21)26)25-29(27,28)14-18-9-5-6-10-20(18)23/h2-13,15-16,25H,14H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide?
1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide has a molecular weight of 425.94 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide is sourced from PubChem (CID 2961516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).