N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide

C24H31N3O2S — CID 11166194

IUPACN-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide
SMILESCC(C)(C)c1nc2cc(NS(=O)(=O)c3ccccc3)ccc2n1CC1CCCCC1
InChIInChI=1S/C24H31N3O2S/c1-24(2,3)23-25-21-16-19(26-30(28,29)20-12-8-5-9-13-20)14-15-22(21)27(23)17-18-10-6-4-7-11-18/h5,8-9,12-16,18,26H,4,6-7,10-11,17H2,1-3H3
InChIKeyPSVBLMGPOXSRIC-UHFFFAOYSA-N
MW425.60 g/mol
LogP5.71
Rot. Bonds5

About N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide

N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide (PubChem CID 11166194) has the molecular formula C24H31N3O2S and a molecular weight of 425.60 g/mol. Its IUPAC name is N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide
PubChem CID11166194
Molecular FormulaC24H31N3O2S
Molecular Weight425.60 g/mol
Exact Mass425.21
IUPAC NameN-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide
SMILESCC(C)(C)c1nc2cc(NS(=O)(=O)c3ccccc3)ccc2n1CC1CCCCC1
InChIInChI=1S/C24H31N3O2S/c1-24(2,3)23-25-21-16-19(26-30(28,29)20-12-8-5-9-13-20)14-15-22(21)27(23)17-18-10-6-4-7-11-18/h5,8-9,12-16,18,26H,4,6-7,10-11,17H2,1-3H3
InChIKeyPSVBLMGPOXSRIC-UHFFFAOYSA-N
XLogP5.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.60
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen
CID 143022132
2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
CID 62506214
1-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]ethanone
CID 142973004
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N-methylacetamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine
CID 159730971
N-[2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-5-yl]ethanesulfonamide;sulfuric acid
CID 24785648
N-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 11282152
4-amino-N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 11408421
2-tert-butyl-1-(cyclohexylmethyl)-5-[(5-methylsulfonyl-2-pyridinyl)sulfonyl]benzimidazole
CID 118945828
3-amino-N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[3-[[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide
CID 159700775
2-tert-butyl-1-(cyclobutylmethyl)benzimidazole-5-thiol
CID 58010440
6-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-methylpyridazin-3-one
CID 118945861
N-[[5-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]methyl]acetamide
CID 118945867

Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide (CID 11166194) is N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide is CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccccc3)ccc2n1CC1CCCCC1.
What is the InChIKey of N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is PSVBLMGPOXSRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S/c1-24(2,3)23-25-21-16-19(26-30(28,29)20-12-8-5-9-13-20)14-15-22(21)27(23)17-18-10-6-4-7-11-18/h5,8-9,12-16,18,26H,4,6-7,10-11,17H2,1-3H3.
What are the key properties of N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide?
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 425.60 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 11166194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).