N-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide

C19H18F2N4O2S — CID 56513205

IUPACN-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc3nc(C(F)F)[nH]c3c2)CC1)c1ccsc1
InChIInChI=1S/C19H18F2N4O2S/c20-16(21)17-23-14-2-1-11(9-15(14)24-17)19(27)25-6-3-13(4-7-25)22-18(26)12-5-8-28-10-12/h1-2,5,8-10,13,16H,3-4,6-7H2,(H,22,26)(H,23,24)
InChIKeyRGVQJXIZOUCRGH-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.60
Rot. Bonds4

About N-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide

N-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 56513205) has the molecular formula C19H18F2N4O2S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
PubChem CID56513205
Molecular FormulaC19H18F2N4O2S
Molecular Weight404.44 g/mol
Exact Mass404.11
IUPAC NameN-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc3nc(C(F)F)[nH]c3c2)CC1)c1ccsc1
InChIInChI=1S/C19H18F2N4O2S/c20-16(21)17-23-14-2-1-11(9-15(14)24-17)19(27)25-6-3-13(4-7-25)22-18(26)12-5-8-28-10-12/h1-2,5,8-10,13,16H,3-4,6-7H2,(H,22,26)(H,23,24)
InChIKeyRGVQJXIZOUCRGH-UHFFFAOYSA-N
XLogP3.60
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
2-(difluoromethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 56553769
N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578368
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182545
N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578028
2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 56561297
N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
CID 60578200
N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765621
N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 126783823
4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide
CID 92634449
N-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
CID 60578287

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide (CID 56513205) is N-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide is O=C(NC1CCN(C(=O)c2ccc3nc(C(F)F)[nH]c3c2)CC1)c1ccsc1.
What is the InChIKey of N-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is RGVQJXIZOUCRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2S/c20-16(21)17-23-14-2-1-11(9-15(14)24-17)19(27)25-6-3-13(4-7-25)22-18(26)12-5-8-28-10-12/h1-2,5,8-10,13,16H,3-4,6-7H2,(H,22,26)(H,23,24).
What are the key properties of N-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide?
N-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 56513205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).