N-[4-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]acetamide

C25H32N4O3S — CID 118945803

IUPACN-[4-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)c2ccc3c(c2)nc(C(C)(C)C)n3CC2CCCCC2)ccn1
InChIInChI=1S/C25H32N4O3S/c1-17(30)27-23-15-20(12-13-26-23)33(31,32)19-10-11-22-21(14-19)28-24(25(2,3)4)29(22)16-18-8-6-5-7-9-18/h10-15,18H,5-9,16H2,1-4H3,(H,26,27,30)
InChIKeyNHUOUVPEZLYATR-UHFFFAOYSA-N
MW468.62 g/mol
LogP5.10
Rot. Bonds5

About N-[4-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]acetamide

N-[4-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]acetamide (PubChem CID 118945803) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is N-[4-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]acetamide
PubChem CID118945803
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC NameN-[4-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)c2ccc3c(c2)nc(C(C)(C)C)n3CC2CCCCC2)ccn1
InChIInChI=1S/C25H32N4O3S/c1-17(30)27-23-15-20(12-13-26-23)33(31,32)19-10-11-22-21(14-19)28-24(25(2,3)4)29(22)16-18-8-6-5-7-9-18/h10-15,18H,5-9,16H2,1-4H3,(H,26,27,30)
InChIKeyNHUOUVPEZLYATR-UHFFFAOYSA-N
XLogP5.10
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.62
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]methyl]acetamide
CID 118945867
N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen
CID 143022132
2-tert-butyl-1-(cyclohexylmethyl)-5-[(5-methylsulfonyl-2-pyridinyl)sulfonyl]benzimidazole
CID 118945828
2-tert-butyl-5-[(2-chloro-4-pyridinyl)sulfonyl]-1-(oxan-4-ylmethyl)benzimidazole
CID 24794677
4-[3-[[4-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]oxy]propyl]morpholine
CID 118945878
1-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]ethanone
CID 142973004
2-tert-butyl-1-(cyclohexylmethyl)-5-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]sulfonyl]benzimidazole
CID 118945860
6-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-methylpyridazin-3-one
CID 118945861
2-tert-butyl-5-[(2-fluoro-4-pyridinyl)sulfonyl]-1-(oxan-2-ylmethyl)benzimidazole
CID 118945865
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide
CID 11166194
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,2,2-trimethylpropanamide
CID 11338075
3-[[4-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 58010580

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]acetamide (CID 118945803) is N-[4-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)c2ccc3c(c2)nc(C(C)(C)C)n3CC2CCCCC2)ccn1.
What is the InChIKey of N-[4-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]acetamide?
The InChIKey is NHUOUVPEZLYATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-17(30)27-23-15-20(12-13-26-23)33(31,32)19-10-11-22-21(14-19)28-24(25(2,3)4)29(22)16-18-8-6-5-7-9-18/h10-15,18H,5-9,16H2,1-4H3,(H,26,27,30).
What are the key properties of N-[4-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]acetamide?
N-[4-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]acetamide has a molecular weight of 468.62 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]acetamide is sourced from PubChem (CID 118945803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).