N-[1-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide

C22H27N5O2 — CID 16965498

IUPACN-[1-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
SMILESCCCCN(C)C(=O)Cn1c(C(C)NC(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C22H27N5O2/c1-4-5-14-26(3)20(28)15-27-19-9-7-6-8-18(19)25-21(27)16(2)24-22(29)17-10-12-23-13-11-17/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,29)
InChIKeyCKOZBKPCCILTKA-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.18
Rot. Bonds8

About N-[1-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide

N-[1-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide (PubChem CID 16965498) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[1-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
PubChem CID16965498
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[1-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
SMILESCCCCN(C)C(=O)Cn1c(C(C)NC(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C22H27N5O2/c1-4-5-14-26(3)20(28)15-27-19-9-7-6-8-18(19)25-21(27)16(2)24-22(29)17-10-12-23-13-11-17/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,29)
InChIKeyCKOZBKPCCILTKA-UHFFFAOYSA-N
XLogP3.18
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965375
N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965377
ethyl 2-[2-[1-(pyridine-4-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16965514
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965517
N-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965496
N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965365
N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967438
N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965407
N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 16996476
N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965467
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 16974938
3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010378

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide (CID 16965498) is N-[1-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide is CCCCN(C)C(=O)Cn1c(C(C)NC(=O)c2ccncc2)nc2ccccc21.
What is the InChIKey of N-[1-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is CKOZBKPCCILTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-4-5-14-26(3)20(28)15-27-19-9-7-6-8-18(19)25-21(27)16(2)24-22(29)17-10-12-23-13-11-17/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,29).
What are the key properties of N-[1-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
N-[1-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 16965498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).