1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide

C25H32N4O — CID 124830583

IUPAC1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide
SMILESCCCc1ccc(NC(=O)C2CCN(Cc3nc4ccccc4n3CC)CC2)cc1
InChIInChI=1S/C25H32N4O/c1-3-7-19-10-12-21(13-11-19)26-25(30)20-14-16-28(17-15-20)18-24-27-22-8-5-6-9-23(22)29(24)4-2/h5-6,8-13,20H,3-4,7,14-18H2,1-2H3,(H,26,30)
InChIKeyCYOXGWGJDKCNSP-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.86
Rot. Bonds7

About 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide

1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide (PubChem CID 124830583) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide
PubChem CID124830583
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide
SMILESCCCc1ccc(NC(=O)C2CCN(Cc3nc4ccccc4n3CC)CC2)cc1
InChIInChI=1S/C25H32N4O/c1-3-7-19-10-12-21(13-11-19)26-25(30)20-14-16-28(17-15-20)18-24-27-22-8-5-6-9-23(22)29(24)4-2/h5-6,8-13,20H,3-4,7,14-18H2,1-2H3,(H,26,30)
InChIKeyCYOXGWGJDKCNSP-UHFFFAOYSA-N
XLogP4.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide
CID 50765566
N-(3,4-dichlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 124830854
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 124830464
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 124914079
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 124515969
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124831148
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 124831327
(3R)-N-(4-bromophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124831109
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide
CID 124814766
(3S)-N-(4-chlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124831312
(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide
CID 124822331
1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide
CID 124814493

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide (CID 124830583) is 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide is CCCc1ccc(NC(=O)C2CCN(Cc3nc4ccccc4n3CC)CC2)cc1.
What is the InChIKey of 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide?
The InChIKey is CYOXGWGJDKCNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-3-7-19-10-12-21(13-11-19)26-25(30)20-14-16-28(17-15-20)18-24-27-22-8-5-6-9-23(22)29(24)4-2/h5-6,8-13,20H,3-4,7,14-18H2,1-2H3,(H,26,30).
What are the key properties of 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide?
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 124830583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).