1-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide

C16H18F2N4O2S — CID 33245612

IUPAC1-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CSc2nc3ccccc3n2C(F)F)CC1
InChIInChI=1S/C16H18F2N4O2S/c17-15(18)22-12-4-2-1-3-11(12)20-16(22)25-9-13(23)21-7-5-10(6-8-21)14(19)24/h1-4,10,15H,5-9H2,(H2,19,24)
InChIKeyCFKBFNRQNDNULS-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.25
Rot. Bonds5

About 1-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide

1-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide (PubChem CID 33245612) has the molecular formula C16H18F2N4O2S and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
PubChem CID33245612
Molecular FormulaC16H18F2N4O2S
Molecular Weight368.41 g/mol
Exact Mass368.11
IUPAC Name1-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CSc2nc3ccccc3n2C(F)F)CC1
InChIInChI=1S/C16H18F2N4O2S/c17-15(18)22-12-4-2-1-3-11(12)20-16(22)25-9-13(23)21-7-5-10(6-8-21)14(19)24/h1-4,10,15H,5-9H2,(H2,19,24)
InChIKeyCFKBFNRQNDNULS-UHFFFAOYSA-N
XLogP2.25
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 33247390
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 33245985
methyl 1-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate
CID 7246530
1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone
CID 39005978
1-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide
CID 8787459
1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide
CID 32978761
1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 31436504
1-[2-(1-pentylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid
CID 4692366
methyl 1-[2-(1-phenylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate
CID 17455806
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 16624215
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 9362571
1-(azocan-1-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 78771129

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide (CID 33245612) is 1-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CSc2nc3ccccc3n2C(F)F)CC1.
What is the InChIKey of 1-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide?
The InChIKey is CFKBFNRQNDNULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2S/c17-15(18)22-12-4-2-1-3-11(12)20-16(22)25-9-13(23)21-7-5-10(6-8-21)14(19)24/h1-4,10,15H,5-9H2,(H2,19,24).
What are the key properties of 1-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide?
1-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 33245612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).