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

C23H24F2N4O3 — CID 56553769

IUPAC2-(difluoromethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCC(NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)CC1
InChIInChI=1S/C23H24F2N4O3/c1-32-19-5-3-2-4-14(19)13-20(30)29-10-8-16(9-11-29)26-23(31)15-6-7-17-18(12-15)28-22(27-17)21(24)25/h2-7,12,16,21H,8-11,13H2,1H3,(H,26,31)(H,27,28)
InChIKeyBTKNQCREBGDCGV-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.47
Rot. Bonds6

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

2-(difluoromethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 56553769) has the molecular formula C23H24F2N4O3 and a molecular weight of 442.47 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
PubChem CID56553769
Molecular FormulaC23H24F2N4O3
Molecular Weight442.47 g/mol
Exact Mass442.18
IUPAC Name2-(difluoromethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCC(NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)CC1
InChIInChI=1S/C23H24F2N4O3/c1-32-19-5-3-2-4-14(19)13-20(30)29-10-8-16(9-11-29)26-23(31)15-6-7-17-18(12-15)28-22(27-17)21(24)25/h2-7,12,16,21H,8-11,13H2,1H3,(H,26,31)(H,27,28)
InChIKeyBTKNQCREBGDCGV-UHFFFAOYSA-N
XLogP3.47
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 56561297
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
CID 119763945
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide
CID 52820081
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-methylbenzamide;hydrochloride
CID 86813960
N-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
CID 56513205
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 119312121
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride
CID 119312142
2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone
CID 133447444
N-cyclopropyl-2-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 51329083
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
CID 52605797
1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 71883526
N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765621

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide (CID 56553769) is 2-(difluoromethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide is COc1ccccc1CC(=O)N1CCC(NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)CC1.
What is the InChIKey of 2-(difluoromethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is BTKNQCREBGDCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O3/c1-32-19-5-3-2-4-14(19)13-20(30)29-10-8-16(9-11-29)26-23(31)15-6-7-17-18(12-15)28-22(27-17)21(24)25/h2-7,12,16,21H,8-11,13H2,1H3,(H,26,31)(H,27,28).
What are the key properties of 2-(difluoromethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
2-(difluoromethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 442.47 g/mol, XLogP of 3.47, 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-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 56553769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).