N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide

C26H24F2N4O — CID 42290175

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C26H24F2N4O/c27-21-5-3-4-19(24(21)28)16-32-14-12-18(13-15-32)26(33)29-20-10-8-17(9-11-20)25-30-22-6-1-2-7-23(22)31-25/h1-11,18H,12-16H2,(H,29,33)(H,30,31)
InChIKeyFYVXKDSGQKXIHA-UHFFFAOYSA-N
MW446.50 g/mol
LogP5.36
Rot. Bonds5

About N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 42290175) has the molecular formula C26H24F2N4O and a molecular weight of 446.50 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID42290175
Molecular FormulaC26H24F2N4O
Molecular Weight446.50 g/mol
Exact Mass446.19
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C26H24F2N4O/c27-21-5-3-4-19(24(21)28)16-32-14-12-18(13-15-32)26(33)29-20-10-8-17(9-11-20)25-30-22-6-1-2-7-23(22)31-25/h1-11,18H,12-16H2,(H,29,33)(H,30,31)
InChIKeyFYVXKDSGQKXIHA-UHFFFAOYSA-N
XLogP5.36
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
CID 42512495
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
CID 45236535
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide
CID 42196348
N-[4-(cyanomethyl)phenyl]-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45007227
N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46775304
N-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 43920099
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568027
2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
CID 168553765
trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 40820911
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 1278030

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide (CID 42290175) is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(Cc2cccc(F)c2F)CC1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is FYVXKDSGQKXIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O/c27-21-5-3-4-19(24(21)28)16-32-14-12-18(13-15-32)26(33)29-20-10-8-17(9-11-20)25-30-22-6-1-2-7-23(22)31-25/h1-11,18H,12-16H2,(H,29,33)(H,30,31).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 42290175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).