ethyl 4-[1-[(2-benzylphenyl)methyl]imidazole-2-carbonyl]piperidine-1-carboxylate

C26H29N3O3 — CID 53426451

IUPACethyl 4-[1-[(2-benzylphenyl)methyl]imidazole-2-carbonyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)c2nccn2Cc2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C26H29N3O3/c1-2-32-26(31)28-15-12-21(13-16-28)24(30)25-27-14-17-29(25)19-23-11-7-6-10-22(23)18-20-8-4-3-5-9-20/h3-11,14,17,21H,2,12-13,15-16,18-19H2,1H3
InChIKeyUQAMQEMTKOKCMY-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.57
Rot. Bonds7

About ethyl 4-[1-[(2-benzylphenyl)methyl]imidazole-2-carbonyl]piperidine-1-carboxylate

ethyl 4-[1-[(2-benzylphenyl)methyl]imidazole-2-carbonyl]piperidine-1-carboxylate (PubChem CID 53426451) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is ethyl 4-[1-[(2-benzylphenyl)methyl]imidazole-2-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-[(2-benzylphenyl)methyl]imidazole-2-carbonyl]piperidine-1-carboxylate
PubChem CID53426451
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Nameethyl 4-[1-[(2-benzylphenyl)methyl]imidazole-2-carbonyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)c2nccn2Cc2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C26H29N3O3/c1-2-32-26(31)28-15-12-21(13-16-28)24(30)25-27-14-17-29(25)19-23-11-7-6-10-22(23)18-20-8-4-3-5-9-20/h3-11,14,17,21H,2,12-13,15-16,18-19H2,1H3
InChIKeyUQAMQEMTKOKCMY-UHFFFAOYSA-N
XLogP4.57
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[1-[(2-benzylphenyl)methyl]imidazole-2-carbonyl]piperidine-1-carboxylate 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

ethyl 4-(1-benzhydrylimidazole-2-carbonyl)piperidine-1-carboxylate
CID 11304622
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
ethyl 1-methylpiperidine-4-carboxylate;(1-methylpiperidin-4-yl)-[1-(2-phenylethyl)imidazol-2-yl]methanone;1-(2-phenylethyl)imidazole;hydrochloride
CID 169427304
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate
CID 56861647
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
benzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 122152865
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 129453675
ethyl 1-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carbonyl]piperidine-4-carboxylate
CID 53159779
ethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate
CID 110394203
4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
CID 3851418

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-[(2-benzylphenyl)methyl]imidazole-2-carbonyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-[(2-benzylphenyl)methyl]imidazole-2-carbonyl]piperidine-1-carboxylate (CID 53426451) is ethyl 4-[1-[(2-benzylphenyl)methyl]imidazole-2-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-[(2-benzylphenyl)methyl]imidazole-2-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-[(2-benzylphenyl)methyl]imidazole-2-carbonyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)c2nccn2Cc2ccccc2Cc2ccccc2)CC1.
What is the InChIKey of ethyl 4-[1-[(2-benzylphenyl)methyl]imidazole-2-carbonyl]piperidine-1-carboxylate?
The InChIKey is UQAMQEMTKOKCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-2-32-26(31)28-15-12-21(13-16-28)24(30)25-27-14-17-29(25)19-23-11-7-6-10-22(23)18-20-8-4-3-5-9-20/h3-11,14,17,21H,2,12-13,15-16,18-19H2,1H3.
What are the key properties of ethyl 4-[1-[(2-benzylphenyl)methyl]imidazole-2-carbonyl]piperidine-1-carboxylate?
ethyl 4-[1-[(2-benzylphenyl)methyl]imidazole-2-carbonyl]piperidine-1-carboxylate has a molecular weight of 431.54 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-[(2-benzylphenyl)methyl]imidazole-2-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 53426451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).