N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide

C22H27N5O2 — CID 16964202

IUPACN-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)Cn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C22H27N5O2/c1-4-5-13-25(2)21(28)16-27-19-11-7-6-10-18(19)24-20(27)15-26(3)22(29)17-9-8-12-23-14-17/h6-12,14H,4-5,13,15-16H2,1-3H3
InChIKeyDDEKUCRTVNYHSR-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.96
Rot. Bonds8

About N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide

N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide (PubChem CID 16964202) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
PubChem CID16964202
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)Cn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C22H27N5O2/c1-4-5-13-25(2)21(28)16-27-19-11-7-6-10-18(19)24-20(27)15-26(3)22(29)17-9-8-12-23-14-17/h6-12,14H,4-5,13,15-16H2,1-3H3
InChIKeyDDEKUCRTVNYHSR-UHFFFAOYSA-N
XLogP2.96
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964075
N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 16996476
N-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 16965703
N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide
CID 16965699
N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide
CID 19242365
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964187
N-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964092
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 16974938
N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964156
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964193
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974512
2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 23609975

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide (CID 16964202) is N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide is CCCCN(C)C(=O)Cn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21.
What is the InChIKey of N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is DDEKUCRTVNYHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-4-5-13-25(2)21(28)16-27-19-11-7-6-10-18(19)24-20(27)15-26(3)22(29)17-9-8-12-23-14-17/h6-12,14H,4-5,13,15-16H2,1-3H3.
What are the key properties of N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide?
N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 16964202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).