4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidine-1-carboxamide

C23H34N4O3S — CID 118722154

IUPAC4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidine-1-carboxamide
SMILESCC(C)(C)Cc1nc2cc(S(=O)(=O)CC3CCN(C(N)=O)CC3)ccc2n1CC1CC1
InChIInChI=1S/C23H34N4O3S/c1-23(2,3)13-21-25-19-12-18(6-7-20(19)27(21)14-16-4-5-16)31(29,30)15-17-8-10-26(11-9-17)22(24)28/h6-7,12,16-17H,4-5,8-11,13-15H2,1-3H3,(H2,24,28)
InChIKeyPJILAZHVIVCLJI-UHFFFAOYSA-N
MW446.62 g/mol
LogP3.60
Rot. Bonds6

About 4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidine-1-carboxamide

4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidine-1-carboxamide (PubChem CID 118722154) has the molecular formula C23H34N4O3S and a molecular weight of 446.62 g/mol. Its IUPAC name is 4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidine-1-carboxamide
PubChem CID118722154
Molecular FormulaC23H34N4O3S
Molecular Weight446.62 g/mol
Exact Mass446.24
IUPAC Name4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidine-1-carboxamide
SMILESCC(C)(C)Cc1nc2cc(S(=O)(=O)CC3CCN(C(N)=O)CC3)ccc2n1CC1CC1
InChIInChI=1S/C23H34N4O3S/c1-23(2,3)13-21-25-19-12-18(6-7-20(19)27(21)14-16-4-5-16)31(29,30)15-17-8-10-26(11-9-17)22(24)28/h6-7,12,16-17H,4-5,8-11,13-15H2,1-3H3,(H2,24,28)
InChIKeyPJILAZHVIVCLJI-UHFFFAOYSA-N
XLogP3.60
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidine-1-carboxamide?
The IUPAC name of 4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidine-1-carboxamide (CID 118722154) is 4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidine-1-carboxamide is CC(C)(C)Cc1nc2cc(S(=O)(=O)CC3CCN(C(N)=O)CC3)ccc2n1CC1CC1.
What is the InChIKey of 4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidine-1-carboxamide?
The InChIKey is PJILAZHVIVCLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3S/c1-23(2,3)13-21-25-19-12-18(6-7-20(19)27(21)14-16-4-5-16)31(29,30)15-17-8-10-26(11-9-17)22(24)28/h6-7,12,16-17H,4-5,8-11,13-15H2,1-3H3,(H2,24,28).
What are the key properties of 4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidine-1-carboxamide?
4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidine-1-carboxamide has a molecular weight of 446.62 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidine-1-carboxamide is sourced from PubChem (CID 118722154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).