2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide

C22H23F3N4O2 — CID 56561297

IUPAC2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ccc4nc(C(F)F)[nH]c4c3)CC2)cc1F
InChIInChI=1S/C22H23F3N4O2/c1-31-19-5-2-13(10-16(19)23)12-29-8-6-15(7-9-29)26-22(30)14-3-4-17-18(11-14)28-21(27-17)20(24)25/h2-5,10-11,15,20H,6-9,12H2,1H3,(H,26,30)(H,27,28)
InChIKeyHNCAVAHESMSLBH-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.04
Rot. Bonds6

About 2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide

2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 56561297) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
PubChem CID56561297
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC Name2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ccc4nc(C(F)F)[nH]c4c3)CC2)cc1F
InChIInChI=1S/C22H23F3N4O2/c1-31-19-5-2-13(10-16(19)23)12-29-8-6-15(7-9-29)26-22(30)14-3-4-17-18(11-14)28-21(27-17)20(24)25/h2-5,10-11,15,20H,6-9,12H2,1H3,(H,26,30)(H,27,28)
InChIKeyHNCAVAHESMSLBH-UHFFFAOYSA-N
XLogP4.04
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-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

4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
2-(difluoromethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 56553769
3-ethyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55958523
4-(dimethylamino)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55957357
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 55837219
2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55959028
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-(5-methylpyrazol-1-yl)benzamide
CID 55957745
4-acetyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 55909424
5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55959163
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,3-dimethylbenzamide
CID 55957612
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55959144
3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide
CID 55957487

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide (CID 56561297) is 2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide is COc1ccc(CN2CCC(NC(=O)c3ccc4nc(C(F)F)[nH]c4c3)CC2)cc1F.
What is the InChIKey of 2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is HNCAVAHESMSLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-31-19-5-2-13(10-16(19)23)12-29-8-6-15(7-9-29)26-22(30)14-3-4-17-18(11-14)28-21(27-17)20(24)25/h2-5,10-11,15,20H,6-9,12H2,1H3,(H,26,30)(H,27,28).
What are the key properties of 2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 432.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 56561297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).