N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide

C29H37N5O2 — CID 16965844

IUPACN-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)c1ccncc1
InChIInChI=1S/C29H37N5O2/c1-32(29(36)22-16-18-30-19-17-22)20-27-31-25-14-8-9-15-26(25)33(27)21-28(35)34(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h8-9,14-19,23-24H,2-7,10-13,20-21H2,1H3
InChIKeyNXMBXIUHJNTURB-UHFFFAOYSA-N
MW487.65 g/mol
LogP5.20
Rot. Bonds7

About N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide

N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide (PubChem CID 16965844) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
PubChem CID16965844
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC NameN-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)c1ccncc1
InChIInChI=1S/C29H37N5O2/c1-32(29(36)22-16-18-30-19-17-22)20-27-31-25-14-8-9-15-26(25)33(27)21-28(35)34(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h8-9,14-19,23-24H,2-7,10-13,20-21H2,1H3
InChIKeyNXMBXIUHJNTURB-UHFFFAOYSA-N
XLogP5.20
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.65
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006501
N-methyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965732
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide
CID 16974247
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964062
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,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987501
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970743
2-chloro-N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007564
N-cyclohexyl-N-methyl-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 16999536
2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 16995633

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide (CID 16965844) is N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide is CN(Cc1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)c1ccncc1.
What is the InChIKey of N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is NXMBXIUHJNTURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O2/c1-32(29(36)22-16-18-30-19-17-22)20-27-31-25-14-8-9-15-26(25)33(27)21-28(35)34(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h8-9,14-19,23-24H,2-7,10-13,20-21H2,1H3.
What are the key properties of N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide?
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 487.65 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 16965844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).