N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide

C24H22N4O3 — CID 46568027

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C24H22N4O3/c29-23(17-4-3-12-28(14-17)24(30)18-11-13-31-15-18)25-19-9-7-16(8-10-19)22-26-20-5-1-2-6-21(20)27-22/h1-2,5-11,13,15,17H,3-4,12,14H2,(H,25,29)(H,26,27)
InChIKeyVNEHYOPVHOBEDC-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.31
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide (PubChem CID 46568027) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
PubChem CID46568027
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C24H22N4O3/c29-23(17-4-3-12-28(14-17)24(30)18-11-13-31-15-18)25-19-9-7-16(8-10-19)22-26-20-5-1-2-6-21(20)27-22/h1-2,5-11,13,15,17H,3-4,12,14H2,(H,25,29)(H,26,27)
InChIKeyVNEHYOPVHOBEDC-UHFFFAOYSA-N
XLogP4.31
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55848768
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 72892284
methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46568061
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
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-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55573707
N'-[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]quinoline-2-carbohydrazide
CID 51933923
N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 1278030
(3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 30806067

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide (CID 46568027) is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is VNEHYOPVHOBEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c29-23(17-4-3-12-28(14-17)24(30)18-11-13-31-15-18)25-19-9-7-16(8-10-19)22-26-20-5-1-2-6-21(20)27-22/h1-2,5-11,13,15,17H,3-4,12,14H2,(H,25,29)(H,26,27).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 46568027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).