2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide

C19H20N4O3S — CID 25190740

IUPAC2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3CCN(S(=O)(=O)c4ccccc4)CC3)nc12
InChIInChI=1S/C19H20N4O3S/c20-18(24)15-7-4-8-16-17(15)22-19(21-16)13-9-11-23(12-10-13)27(25,26)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,20,24)(H,21,22)
InChIKeyLWYGAYYSBCIGHJ-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.23
Rot. Bonds4

About 2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide

2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 25190740) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide
PubChem CID25190740
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3CCN(S(=O)(=O)c4ccccc4)CC3)nc12
InChIInChI=1S/C19H20N4O3S/c20-18(24)15-7-4-8-16-17(15)22-19(21-16)13-9-11-23(12-10-13)27(25,26)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,20,24)(H,21,22)
InChIKeyLWYGAYYSBCIGHJ-UHFFFAOYSA-N
XLogP2.23
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide
CID 22718147
2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 18428049
2-[(3S)-1-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137868
2-(1-acetylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 18428045
2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137901
2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide
CID 10221158
2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide
CID 25190722
2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 18428036
2-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137872
2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137873
2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582836
molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 142409926

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide (CID 25190740) is 2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(C3CCN(S(=O)(=O)c4ccccc4)CC3)nc12.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is LWYGAYYSBCIGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c20-18(24)15-7-4-8-16-17(15)22-19(21-16)13-9-11-23(12-10-13)27(25,26)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,20,24)(H,21,22).
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide?
2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25190740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).