4-benzoyl-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide

C33H36N4O4 — CID 58742565

IUPAC4-benzoyl-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide
SMILESCOCCCn1c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21
InChIInChI=1S/C33H36N4O4/c1-36(32(40)26-12-7-4-8-13-26)27-18-19-29-28(22-27)34-33(37(29)20-9-21-41-2)35-31(39)25-16-14-24(15-17-25)30(38)23-10-5-3-6-11-23/h3,5-6,10-11,14-19,22,26H,4,7-9,12-13,20-21H2,1-2H3,(H,34,35,39)
InChIKeyKZQWHRAJPPXYKR-UHFFFAOYSA-N
MW552.68 g/mol
LogP6.10
Rot. Bonds10

About 4-benzoyl-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide

4-benzoyl-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide (PubChem CID 58742565) has the molecular formula C33H36N4O4 and a molecular weight of 552.68 g/mol. Its IUPAC name is 4-benzoyl-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-benzoyl-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide
PubChem CID58742565
Molecular FormulaC33H36N4O4
Molecular Weight552.68 g/mol
Exact Mass552.27
IUPAC Name4-benzoyl-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide
SMILESCOCCCn1c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21
InChIInChI=1S/C33H36N4O4/c1-36(32(40)26-12-7-4-8-13-26)27-18-19-29-28(22-27)34-33(37(29)20-9-21-41-2)35-31(39)25-16-14-24(15-17-25)30(38)23-10-5-3-6-11-23/h3,5-6,10-11,14-19,22,26H,4,7-9,12-13,20-21H2,1-2H3,(H,34,35,39)
InChIKeyKZQWHRAJPPXYKR-UHFFFAOYSA-N
XLogP6.10
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.68
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide
CID 25110758
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide
CID 25110759
N-[2-benzamido-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-N-methylbenzamide
CID 25190503
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-bromobenzamide
CID 25190505
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-phenylbenzamide
CID 25190507
9-(4-{2-Isopropyl-4-[(4''-trifluoromethyl-biphenyl-2-carbonyl)-amino]-benzoimidazol-1-yl}-butyl)-9H-fluorene-9-carboxylic acid (2,2,2-trifluoro-ethyl)-amide
CID 10557113
4-[[3-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]-2-oxo-benzimidazol-1-yl]methyl]-N,N-dimethyl-benzamide
CID 15956501
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]naphthalene-2-carboxamide
CID 25190509
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-benzoylthiophene-2-carboxamide
CID 25190524
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-phenylbenzamide
CID 25190506
N-(1-tert-butylbenzimidazol-5-yl)benzamide
CID 711834
4-methyl-N-(1-prop-2-enylbenzimidazol-2-yl)benzamide
CID 780682

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide?
The IUPAC name of 4-benzoyl-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide (CID 58742565) is 4-benzoyl-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 4-benzoyl-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 4-benzoyl-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide is COCCCn1c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21.
What is the InChIKey of 4-benzoyl-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide?
The InChIKey is KZQWHRAJPPXYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O4/c1-36(32(40)26-12-7-4-8-13-26)27-18-19-29-28(22-27)34-33(37(29)20-9-21-41-2)35-31(39)25-16-14-24(15-17-25)30(38)23-10-5-3-6-11-23/h3,5-6,10-11,14-19,22,26H,4,7-9,12-13,20-21H2,1-2H3,(H,34,35,39).
What are the key properties of 4-benzoyl-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide?
4-benzoyl-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide has a molecular weight of 552.68 g/mol, XLogP of 6.10, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 58742565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).