N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide

C21H28N4O2 — CID 16969915

IUPACN-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
SMILESCN(C(=O)Cn1c(CNC(=O)C2CC2)nc2ccccc21)C1CCCCC1
InChIInChI=1S/C21H28N4O2/c1-24(16-7-3-2-4-8-16)20(26)14-25-18-10-6-5-9-17(18)23-19(25)13-22-21(27)15-11-12-15/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,22,27)
InChIKeyCPDMUNCQAFWLHM-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.85
Rot. Bonds6

About N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide

N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 16969915) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
PubChem CID16969915
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
SMILESCN(C(=O)Cn1c(CNC(=O)C2CC2)nc2ccccc21)C1CCCCC1
InChIInChI=1S/C21H28N4O2/c1-24(16-7-3-2-4-8-16)20(26)14-25-18-10-6-5-9-17(18)23-19(25)13-22-21(27)15-11-12-15/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,22,27)
InChIKeyCPDMUNCQAFWLHM-UHFFFAOYSA-N
XLogP2.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969907
2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 16995633
N-cyclohexyl-N-methyl-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 16999536
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006501
N-[3-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylprop-2-enamide
CID 16986998
N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029148
2-chloro-N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007564
N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 16968415
N-cyclohexyl-N-methyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17000965
N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029165
N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999431

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide (CID 16969915) is N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide is CN(C(=O)Cn1c(CNC(=O)C2CC2)nc2ccccc21)C1CCCCC1.
What is the InChIKey of N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is CPDMUNCQAFWLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-24(16-7-3-2-4-8-16)20(26)14-25-18-10-6-5-9-17(18)23-19(25)13-22-21(27)15-11-12-15/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,22,27).
What are the key properties of N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide?
N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 16969915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).