N-methyl-N-[2-phenacyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide

C31H33N3O2 — CID 58742961

IUPACN-methyl-N-[2-phenacyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(CC(=O)c1ccccc1)n2CCc1ccccc1
InChIInChI=1S/C31H33N3O2/c1-33(31(36)25-15-9-4-10-16-25)26-17-18-28-27(21-26)32-30(22-29(35)24-13-7-3-8-14-24)34(28)20-19-23-11-5-2-6-12-23/h2-3,5-8,11-14,17-18,21,25H,4,9-10,15-16,19-20,22H2,1H3
InChIKeyLZIOVRQZXJWWMY-UHFFFAOYSA-N
MW479.62 g/mol
LogP6.25
Rot. Bonds8

About N-methyl-N-[2-phenacyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide

N-methyl-N-[2-phenacyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide (PubChem CID 58742961) has the molecular formula C31H33N3O2 and a molecular weight of 479.62 g/mol. Its IUPAC name is N-methyl-N-[2-phenacyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-phenacyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide
PubChem CID58742961
Molecular FormulaC31H33N3O2
Molecular Weight479.62 g/mol
Exact Mass479.26
IUPAC NameN-methyl-N-[2-phenacyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(CC(=O)c1ccccc1)n2CCc1ccccc1
InChIInChI=1S/C31H33N3O2/c1-33(31(36)25-15-9-4-10-16-25)26-17-18-28-27(21-26)32-30(22-29(35)24-13-7-3-8-14-24)34(28)20-19-23-11-5-2-6-12-23/h2-3,5-8,11-14,17-18,21,25H,4,9-10,15-16,19-20,22H2,1H3
InChIKeyLZIOVRQZXJWWMY-UHFFFAOYSA-N
XLogP6.25
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.62
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(2-phenylethyl)benzimidazol-2-yl]benzamide
CID 44588918
4-[2-[(4-carbamimidoylphenyl)methyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]butanoic acid
CID 23302645
N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-4-carboxamide
CID 44588740
N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide
CID 44588794
3-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(methylamino)-3-oxopropyl]benzimidazol-2-yl]benzamide
CID 58742518
4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(2,4-dichlorophenyl)ethyl]benzimidazol-2-yl]benzamide
CID 44588947
N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
CID 44588719
N-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide
CID 58742868
2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid
CID 28759748
4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]benzimidazol-2-yl]benzamide
CID 163946570
N-cyclohexyl-N-methyl-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 16999536
N-(2-aminoethyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-N-(cyclohexylmethyl)-1-(2-phenylethyl)benzimidazole-5-carboxamide
CID 18674294

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-phenacyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide?
The IUPAC name of N-methyl-N-[2-phenacyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide (CID 58742961) is N-methyl-N-[2-phenacyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-methyl-N-[2-phenacyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide?
The canonical SMILES for N-methyl-N-[2-phenacyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide is CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(CC(=O)c1ccccc1)n2CCc1ccccc1.
What is the InChIKey of N-methyl-N-[2-phenacyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide?
The InChIKey is LZIOVRQZXJWWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O2/c1-33(31(36)25-15-9-4-10-16-25)26-17-18-28-27(21-26)32-30(22-29(35)24-13-7-3-8-14-24)34(28)20-19-23-11-5-2-6-12-23/h2-3,5-8,11-14,17-18,21,25H,4,9-10,15-16,19-20,22H2,1H3.
What are the key properties of N-methyl-N-[2-phenacyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide?
N-methyl-N-[2-phenacyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide has a molecular weight of 479.62 g/mol, XLogP of 6.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-phenacyl-1-(2-phenylethyl)benzimidazol-5-yl]cyclohexanecarboxamide is sourced from PubChem (CID 58742961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).