N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-(thiolan-3-yl)piperidine-4-carboxamide

C18H22F2N4OS — CID 128531892

IUPACN-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-(thiolan-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C1CCN(C2CCSC2)CC1
InChIInChI=1S/C18H22F2N4OS/c19-16(20)17-22-14-2-1-12(9-15(14)23-17)21-18(25)11-3-6-24(7-4-11)13-5-8-26-10-13/h1-2,9,11,13,16H,3-8,10H2,(H,21,25)(H,22,23)
InChIKeyMMARQKUDPMMMIY-UHFFFAOYSA-N
MW380.46 g/mol
LogP3.66
Rot. Bonds4

About N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-(thiolan-3-yl)piperidine-4-carboxamide

N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-(thiolan-3-yl)piperidine-4-carboxamide (PubChem CID 128531892) has the molecular formula C18H22F2N4OS and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-(thiolan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-(thiolan-3-yl)piperidine-4-carboxamide
PubChem CID128531892
Molecular FormulaC18H22F2N4OS
Molecular Weight380.46 g/mol
Exact Mass380.15
IUPAC NameN-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-(thiolan-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C1CCN(C2CCSC2)CC1
InChIInChI=1S/C18H22F2N4OS/c19-16(20)17-22-14-2-1-12(9-15(14)23-17)21-18(25)11-3-6-24(7-4-11)13-5-8-26-10-13/h1-2,9,11,13,16H,3-8,10H2,(H,21,25)(H,22,23)
InChIKeyMMARQKUDPMMMIY-UHFFFAOYSA-N
XLogP3.66
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyacetyl)-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide
CID 131922240
N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide
CID 75391622
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide
CID 75391625
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]cyclopentene-1-carboxamide
CID 97246512
N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide
CID 84581323
N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 166218130
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[1-(2-fluorophenyl)pyrrolidin-3-yl]urea
CID 166236117
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
CID 126789939
1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide
CID 171336437
4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide
CID 60851207
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 166187226

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-(thiolan-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-(thiolan-3-yl)piperidine-4-carboxamide (CID 128531892) is N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-(thiolan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-(thiolan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-(thiolan-3-yl)piperidine-4-carboxamide is O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C1CCN(C2CCSC2)CC1.
What is the InChIKey of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-(thiolan-3-yl)piperidine-4-carboxamide?
The InChIKey is MMARQKUDPMMMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4OS/c19-16(20)17-22-14-2-1-12(9-15(14)23-17)21-18(25)11-3-6-24(7-4-11)13-5-8-26-10-13/h1-2,9,11,13,16H,3-8,10H2,(H,21,25)(H,22,23).
What are the key properties of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-(thiolan-3-yl)piperidine-4-carboxamide?
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-(thiolan-3-yl)piperidine-4-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-(thiolan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 128531892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).