N-[(1S,3S)-3-methylsulfanylcyclohexyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

C15H19N3O2S — CID 95770973

IUPACN-[(1S,3S)-3-methylsulfanylcyclohexyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCS[C@H]1CCC[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1
InChIInChI=1S/C15H19N3O2S/c1-21-11-4-2-3-10(8-11)16-14(19)9-5-6-12-13(7-9)18-15(20)17-12/h5-7,10-11H,2-4,8H2,1H3,(H,16,19)(H2,17,18,20)/t10-,11-/m0/s1
InChIKeyMHPQSOPOMMAVMU-QWRGUYRKSA-N
MW305.40 g/mol
LogP2.26
Rot. Bonds3

About N-[(1S,3S)-3-methylsulfanylcyclohexyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

N-[(1S,3S)-3-methylsulfanylcyclohexyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 95770973) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(1S,3S)-3-methylsulfanylcyclohexyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-methylsulfanylcyclohexyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID95770973
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[(1S,3S)-3-methylsulfanylcyclohexyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCS[C@H]1CCC[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1
InChIInChI=1S/C15H19N3O2S/c1-21-11-4-2-3-10(8-11)16-14(19)9-5-6-12-13(7-9)18-15(20)17-12/h5-7,10-11H,2-4,8H2,1H3,(H,16,19)(H2,17,18,20)/t10-,11-/m0/s1
InChIKeyMHPQSOPOMMAVMU-QWRGUYRKSA-N
XLogP2.26
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[(1S,3R)-3-methylsulfanylcyclohexyl]-1H-pyrrole-2-carboxamide
CID 97317265
N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692318
N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 50952647
3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103708502
3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103737055
N-[(1R,3R)-3-methylcyclohexyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 94124775
4-amino-N-(3-methylsulfanylcyclopentyl)-3-nitrobenzamide
CID 103708443
N-[(1S,3S)-3-methylcyclohexyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 94124774
N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-oxocyclobutane-1-carboxamide
CID 97251565
6-amino-N-(3-methylsulfanylcyclohexyl)pyridine-2-carboxamide;hydrochloride
CID 119999169
4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103797799
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 97056408

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-methylsulfanylcyclohexyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-[(1S,3S)-3-methylsulfanylcyclohexyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (CID 95770973) is N-[(1S,3S)-3-methylsulfanylcyclohexyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-methylsulfanylcyclohexyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-methylsulfanylcyclohexyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is CS[C@H]1CCC[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1.
What is the InChIKey of N-[(1S,3S)-3-methylsulfanylcyclohexyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is MHPQSOPOMMAVMU-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-21-11-4-2-3-10(8-11)16-14(19)9-5-6-12-13(7-9)18-15(20)17-12/h5-7,10-11H,2-4,8H2,1H3,(H,16,19)(H2,17,18,20)/t10-,11-/m0/s1.
What are the key properties of N-[(1S,3S)-3-methylsulfanylcyclohexyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
N-[(1S,3S)-3-methylsulfanylcyclohexyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-methylsulfanylcyclohexyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 95770973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).