N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide

C23H20N4O2 — CID 16965517

IUPACN-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1nc2ccccc2n1CC(=O)c1ccccc1
InChIInChI=1S/C23H20N4O2/c1-16(25-23(29)18-11-13-24-14-12-18)22-26-19-9-5-6-10-20(19)27(22)15-21(28)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,25,29)
InChIKeyZVNPCWJVPRHRFM-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.81
Rot. Bonds6

About N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide

N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 16965517) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID16965517
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1nc2ccccc2n1CC(=O)c1ccccc1
InChIInChI=1S/C23H20N4O2/c1-16(25-23(29)18-11-13-24-14-12-18)22-26-19-9-5-6-10-20(19)27(22)15-21(28)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,25,29)
InChIKeyZVNPCWJVPRHRFM-UHFFFAOYSA-N
XLogP3.81
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965365
ethyl 2-[2-[1-(pyridine-4-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16965514
N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965407
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 4753696
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637
N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965377
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965375
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 5400747
N-[1-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 3949916
N-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965496
N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965467
N-[1-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965498

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide (CID 16965517) is N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccncc1)c1nc2ccccc2n1CC(=O)c1ccccc1.
What is the InChIKey of N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is ZVNPCWJVPRHRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-16(25-23(29)18-11-13-24-14-12-18)22-26-19-9-5-6-10-20(19)27(22)15-21(28)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,25,29).
What are the key properties of N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide?
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 16965517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).