4-chloro-N-[2-(imidazol-1-ylmethyl)-1-(2-methylpropyl)benzimidazol-5-yl]benzenesulfonamide

C21H22ClN5O2S — CID 17218625

IUPAC4-chloro-N-[2-(imidazol-1-ylmethyl)-1-(2-methylpropyl)benzimidazol-5-yl]benzenesulfonamide
SMILESCC(C)Cn1c(Cn2ccnc2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C21H22ClN5O2S/c1-15(2)12-27-20-8-5-17(25-30(28,29)18-6-3-16(22)4-7-18)11-19(20)24-21(27)13-26-10-9-23-14-26/h3-11,14-15,25H,12-13H2,1-2H3
InChIKeyXUUGXWWCLKKAHM-UHFFFAOYSA-N
MW443.96 g/mol
LogP4.39
Rot. Bonds7

About 4-chloro-N-[2-(imidazol-1-ylmethyl)-1-(2-methylpropyl)benzimidazol-5-yl]benzenesulfonamide

4-chloro-N-[2-(imidazol-1-ylmethyl)-1-(2-methylpropyl)benzimidazol-5-yl]benzenesulfonamide (PubChem CID 17218625) has the molecular formula C21H22ClN5O2S and a molecular weight of 443.96 g/mol. Its IUPAC name is 4-chloro-N-[2-(imidazol-1-ylmethyl)-1-(2-methylpropyl)benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(imidazol-1-ylmethyl)-1-(2-methylpropyl)benzimidazol-5-yl]benzenesulfonamide
PubChem CID17218625
Molecular FormulaC21H22ClN5O2S
Molecular Weight443.96 g/mol
Exact Mass443.12
IUPAC Name4-chloro-N-[2-(imidazol-1-ylmethyl)-1-(2-methylpropyl)benzimidazol-5-yl]benzenesulfonamide
SMILESCC(C)Cn1c(Cn2ccnc2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C21H22ClN5O2S/c1-15(2)12-27-20-8-5-17(25-30(28,29)18-6-3-16(22)4-7-18)11-19(20)24-21(27)13-26-10-9-23-14-26/h3-11,14-15,25H,12-13H2,1-2H3
InChIKeyXUUGXWWCLKKAHM-UHFFFAOYSA-N
XLogP4.39
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.96
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide
CID 141108026
4-chloro-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide
CID 17218638
3-[5-[(4-fluorophenyl)sulfonylamino]-3-(imidazol-1-ylmethyl)-2-methylindol-1-yl]propanoic acid
CID 18926585
4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 110867679
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55719646
4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide
CID 50825285
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927551
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide
CID 169371169
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479595
4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
CID 112979886

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(imidazol-1-ylmethyl)-1-(2-methylpropyl)benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(imidazol-1-ylmethyl)-1-(2-methylpropyl)benzimidazol-5-yl]benzenesulfonamide (CID 17218625) is 4-chloro-N-[2-(imidazol-1-ylmethyl)-1-(2-methylpropyl)benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(imidazol-1-ylmethyl)-1-(2-methylpropyl)benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(imidazol-1-ylmethyl)-1-(2-methylpropyl)benzimidazol-5-yl]benzenesulfonamide is CC(C)Cn1c(Cn2ccnc2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 4-chloro-N-[2-(imidazol-1-ylmethyl)-1-(2-methylpropyl)benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is XUUGXWWCLKKAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2S/c1-15(2)12-27-20-8-5-17(25-30(28,29)18-6-3-16(22)4-7-18)11-19(20)24-21(27)13-26-10-9-23-14-26/h3-11,14-15,25H,12-13H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(imidazol-1-ylmethyl)-1-(2-methylpropyl)benzimidazol-5-yl]benzenesulfonamide?
4-chloro-N-[2-(imidazol-1-ylmethyl)-1-(2-methylpropyl)benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 443.96 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(imidazol-1-ylmethyl)-1-(2-methylpropyl)benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 17218625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).