2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one

C27H30N4O2 — CID 69174482

IUPAC2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one
SMILESO=C1CCCCC1n1cnc(C(=O)N2CCNC[C@H]2Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C27H30N4O2/c32-24-14-8-7-13-23(24)31-19-29-25(26(31)21-11-5-2-6-12-21)27(33)30-16-15-28-18-22(30)17-20-9-3-1-4-10-20/h1-6,9-12,19,22-23,28H,7-8,13-18H2/t22-,23?/m1/s1
InChIKeyBAPBRERKTMRQTC-WTQRLHSKSA-N
MW442.56 g/mol
LogP3.89
Rot. Bonds5

About 2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one

2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one (PubChem CID 69174482) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one
PubChem CID69174482
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one
SMILESO=C1CCCCC1n1cnc(C(=O)N2CCNC[C@H]2Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C27H30N4O2/c32-24-14-8-7-13-23(24)31-19-29-25(26(31)21-11-5-2-6-12-21)27(33)30-16-15-28-18-22(30)17-20-9-3-1-4-10-20/h1-6,9-12,19,22-23,28H,7-8,13-18H2/t22-,23?/m1/s1
InChIKeyBAPBRERKTMRQTC-WTQRLHSKSA-N
XLogP3.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one
CID 68990940
(3R)-3-benzyl-4-[1-[(1S)-2-oxocyclohexyl]-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid
CID 68989002
[(2R)-2-benzylpiperazin-1-yl]-[1-[(1R,2S)-2-hydroxycycloheptyl]-5-phenylimidazol-4-yl]methanone;hydrochloride
CID 68991399
[(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone
CID 68985061
[1-[(1S,2R)-2-hydroxycyclohexyl]-5-phenylimidazol-4-yl]-[(2R)-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 68986785
[(2R)-2-benzylpiperazin-1-yl]-[5-phenyl-1-[(1S,2S)-2-prop-2-enoxycyclohexyl]imidazol-4-yl]methanone
CID 68990733
ethyl 5-[[3-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]-2-oxoazepan-1-yl]methyl]furan-2-carboxylate
CID 59324797
[2-[4-[(2S)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexyl] N-methylcarbamate
CID 90966634
(2-benzylpiperazin-1-yl)-[5-(3,5-difluorophenyl)-1-[(1S,2R)-2-hydroxycyclohexyl]imidazol-4-yl]methanone
CID 69174907
[(1S,2S)-2-[5-phenyl-4-[(2R)-2-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]imidazol-1-yl]cyclohexyl]carbamic acid
CID 68986562
[(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2S)-2-(3-methoxypropoxy)cycloheptyl]-5-phenylimidazol-4-yl]methanone
CID 68987017
[(2R)-2-benzylpiperazin-1-yl]-[1-[2-(cyclobutyloxymethyl)-2-hydroxycyclohexyl]-5-phenylimidazol-4-yl]methanone;hydrochloride
CID 68989321

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one?
The IUPAC name of 2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one (CID 69174482) is 2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one?
The canonical SMILES for 2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one is O=C1CCCCC1n1cnc(C(=O)N2CCNC[C@H]2Cc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one?
The InChIKey is BAPBRERKTMRQTC-WTQRLHSKSA-N. The full InChI is InChI=1S/C27H30N4O2/c32-24-14-8-7-13-23(24)31-19-29-25(26(31)21-11-5-2-6-12-21)27(33)30-16-15-28-18-22(30)17-20-9-3-1-4-10-20/h1-6,9-12,19,22-23,28H,7-8,13-18H2/t22-,23?/m1/s1.
What are the key properties of 2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one?
2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one has a molecular weight of 442.56 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one is sourced from PubChem (CID 69174482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).