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

C24H22N4O3 — CID 60554757

IUPACN-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)cc1)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C24H22N4O3/c29-23(21-8-3-4-14-27(21)24(30)22-9-5-15-31-22)26-17-10-12-18(13-11-17)28-16-25-19-6-1-2-7-20(19)28/h1-2,5-7,9-13,15-16,21H,3-4,8,14H2,(H,26,29)
InChIKeySXEMHFQXPKZSIG-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.25
Rot. Bonds4

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

N-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (PubChem CID 60554757) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
PubChem CID60554757
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)cc1)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C24H22N4O3/c29-23(21-8-3-4-14-27(21)24(30)22-9-5-15-31-22)26-17-10-12-18(13-11-17)28-16-25-19-6-1-2-7-20(19)28/h1-2,5-7,9-13,15-16,21H,3-4,8,14H2,(H,26,29)
InChIKeySXEMHFQXPKZSIG-UHFFFAOYSA-N
XLogP4.25
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 119254206
1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 102603994
(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide
CID 96526953
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 55761391
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55991002
N-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 46642187
1-(furan-2-carbonyl)-N-[4-(4-methylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 24658906
1-(furan-2-carbonyl)-N-[4-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide
CID 55675227
1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 71902260
1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide
CID 55961635
(2S)-1-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 46420968

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (CID 60554757) is N-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is O=C(Nc1ccc(-n2cnc3ccccc32)cc1)C1CCCCN1C(=O)c1ccco1.
What is the InChIKey of N-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is SXEMHFQXPKZSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c29-23(21-8-3-4-14-27(21)24(30)22-9-5-15-31-22)26-17-10-12-18(13-11-17)28-16-25-19-6-1-2-7-20(19)28/h1-2,5-7,9-13,15-16,21H,3-4,8,14H2,(H,26,29).
What are the key properties of N-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
N-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 60554757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).