methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate

C26H31N3O3 — CID 129276836

IUPACmethyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate
SMILESCCN(C(=O)CCn1c(-c2ccc(C(=O)OC)cc2)nc2ccccc21)C1CCCCC1
InChIInChI=1S/C26H31N3O3/c1-3-28(21-9-5-4-6-10-21)24(30)17-18-29-23-12-8-7-11-22(23)27-25(29)19-13-15-20(16-14-19)26(31)32-2/h7-8,11-16,21H,3-6,9-10,17-18H2,1-2H3
InChIKeyGWOODUXWJSUOPV-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.06
Rot. Bonds7

About methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate

methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate (PubChem CID 129276836) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate
PubChem CID129276836
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Namemethyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate
SMILESCCN(C(=O)CCn1c(-c2ccc(C(=O)OC)cc2)nc2ccccc21)C1CCCCC1
InChIInChI=1S/C26H31N3O3/c1-3-28(21-9-5-4-6-10-21)24(30)17-18-29-23-12-8-7-11-22(23)27-25(29)19-13-15-20(16-14-19)26(31)32-2/h7-8,11-16,21H,3-6,9-10,17-18H2,1-2H3
InChIKeyGWOODUXWJSUOPV-UHFFFAOYSA-N
XLogP5.06
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate 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

methyl 3-[cyclohexyl-[2-[2-(4-methoxycarbonylphenyl)benzimidazol-1-yl]acetyl]amino]benzoate;hydrochloride
CID 175289970
N-cyclohexyl-N-ethyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 112781129
N-cyclohexyl-N-methyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17000965
methyl 4-[1-[2-[(1-cyclopentylcyclopentyl)amino]-2-oxoethyl]benzimidazol-2-yl]benzoate
CID 160911173
N-cyclohexyl-3-(2-cyclohexyl-6-methylbenzimidazol-1-yl)-N-ethylpropanamide
CID 170097440
N,N-dicyclohexyl-2-[2-(6-methyl-3-pyridinyl)benzimidazol-1-yl]acetamide
CID 175290062
N-cyclohexyl-3-(2-cyclohexyl-4-methylbenzimidazol-1-yl)-N-ethylpropanamide
CID 170097444
N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 175290003
N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide
CID 174570409
methyl 4-[1-[1-cyclohexyl-2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl]benzimidazol-2-yl]benzoate
CID 68695594
ethyl 3-[2-(4-tert-butylphenyl)benzimidazol-1-yl]propanoate
CID 84571450
4-[1-[3-(dibenzylamino)-3-oxopropyl]benzimidazol-2-yl]benzoic acid
CID 155561370

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate?
The IUPAC name of methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate (CID 129276836) is methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate.
What is the SMILES notation for methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate?
The canonical SMILES for methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate is CCN(C(=O)CCn1c(-c2ccc(C(=O)OC)cc2)nc2ccccc21)C1CCCCC1.
What is the InChIKey of methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate?
The InChIKey is GWOODUXWJSUOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-3-28(21-9-5-4-6-10-21)24(30)17-18-29-23-12-8-7-11-22(23)27-25(29)19-13-15-20(16-14-19)26(31)32-2/h7-8,11-16,21H,3-6,9-10,17-18H2,1-2H3.
What are the key properties of methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate?
methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate has a molecular weight of 433.55 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate is sourced from PubChem (CID 129276836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).