N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

C20H22N4O2S — CID 3835544

IUPACN-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCSc1ccc(NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1
InChIInChI=1S/C20H22N4O2S/c1-27-16-8-6-14(7-9-16)21-19(25)23-12-10-15(11-13-23)24-18-5-3-2-4-17(18)22-20(24)26/h2-9,15H,10-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyUFDWDNYLSQWOMV-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.92
Rot. Bonds3

About N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (PubChem CID 3835544) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
PubChem CID3835544
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCSc1ccc(NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1
InChIInChI=1S/C20H22N4O2S/c1-27-16-8-6-14(7-9-16)21-19(25)23-12-10-15(11-13-23)24-18-5-3-2-4-17(18)22-20(24)26/h2-9,15H,10-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyUFDWDNYLSQWOMV-UHFFFAOYSA-N
XLogP3.92
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 24735688
N-(2-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 24735703
N-(2-methylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 20605984
3-[1-(2-methyl-5-methylsulfanylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 52559061
3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863178
N-(2,5-dimethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 23878679
N-(cyclopentylmethyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 172967857
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
N-(2,2-dimethylcyclopentyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 172967834
N-(4-bromophenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 46631954
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 112806255
N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 128698136

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (CID 3835544) is N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is CSc1ccc(NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The InChIKey is UFDWDNYLSQWOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-27-16-8-6-14(7-9-16)21-19(25)23-12-10-15(11-13-23)24-18-5-3-2-4-17(18)22-20(24)26/h2-9,15H,10-13H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 3835544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).