N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide

C25H37N5O2S — CID 11178925

IUPACN-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(C)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCC1
InChIInChI=1S/C25H37N5O2S/c1-17-23(18(2)28(6)27-17)33(31,32)29(7)20-13-14-22-21(15-20)26-24(25(3,4)5)30(22)16-19-11-9-8-10-12-19/h13-15,19H,8-12,16H2,1-7H3
InChIKeyXKEMCDIJXHBECO-UHFFFAOYSA-N
MW471.67 g/mol
LogP5.09
Rot. Bonds5

About N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide

N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide (PubChem CID 11178925) has the molecular formula C25H37N5O2S and a molecular weight of 471.67 g/mol. Its IUPAC name is N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
PubChem CID11178925
Molecular FormulaC25H37N5O2S
Molecular Weight471.67 g/mol
Exact Mass471.27
IUPAC NameN-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(C)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCC1
InChIInChI=1S/C25H37N5O2S/c1-17-23(18(2)28(6)27-17)33(31,32)29(7)20-13-14-22-21(15-20)26-24(25(3,4)5)30(22)16-19-11-9-8-10-12-19/h13-15,19H,8-12,16H2,1-7H3
InChIKeyXKEMCDIJXHBECO-UHFFFAOYSA-N
XLogP5.09
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.67
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide (CID 11178925) is N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N(C)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCC1.
What is the InChIKey of N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The InChIKey is XKEMCDIJXHBECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O2S/c1-17-23(18(2)28(6)27-17)33(31,32)29(7)20-13-14-22-21(15-20)26-24(25(3,4)5)30(22)16-19-11-9-8-10-12-19/h13-15,19H,8-12,16H2,1-7H3.
What are the key properties of N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide has a molecular weight of 471.67 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide is sourced from PubChem (CID 11178925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).