5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-[(1-hydroxycyclohexyl)methyl]-4-phenyl-1H-imidazol-2-one

C28H34N4O3 — CID 59292704

IUPAC5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-[(1-hydroxycyclohexyl)methyl]-4-phenyl-1H-imidazol-2-one
SMILESO=C(c1[nH]c(=O)n(CC2(O)CCCCC2)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C28H34N4O3/c33-26(31-17-16-29-19-23(31)18-21-10-4-1-5-11-21)24-25(22-12-6-2-7-13-22)32(27(34)30-24)20-28(35)14-8-3-9-15-28/h1-2,4-7,10-13,23,29,35H,3,8-9,14-20H2,(H,30,34)/t23-/m1/s1
InChIKeyDRVMZKDNQQLRHW-HSZRJFAPSA-N
MW474.61 g/mol
LogP3.20
Rot. Bonds6

About 5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-[(1-hydroxycyclohexyl)methyl]-4-phenyl-1H-imidazol-2-one

5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-[(1-hydroxycyclohexyl)methyl]-4-phenyl-1H-imidazol-2-one (PubChem CID 59292704) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-[(1-hydroxycyclohexyl)methyl]-4-phenyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-[(1-hydroxycyclohexyl)methyl]-4-phenyl-1H-imidazol-2-one
PubChem CID59292704
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-[(1-hydroxycyclohexyl)methyl]-4-phenyl-1H-imidazol-2-one
SMILESO=C(c1[nH]c(=O)n(CC2(O)CCCCC2)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C28H34N4O3/c33-26(31-17-16-29-19-23(31)18-21-10-4-1-5-11-21)24-25(22-12-6-2-7-13-22)32(27(34)30-24)20-28(35)14-8-3-9-15-28/h1-2,4-7,10-13,23,29,35H,3,8-9,14-20H2,(H,30,34)/t23-/m1/s1
InChIKeyDRVMZKDNQQLRHW-HSZRJFAPSA-N
XLogP3.20
TPSA90.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-[(1-hydroxycyclohexyl)methyl]-4-phenyl-1H-imidazol-2-one with MolForge

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Related Compounds

5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-(2-hydroxycyclohexyl)-4-phenyl-1H-imidazol-2-one
CID 68662785
N-[2-[5-(2-benzylpiperazine-1-carbonyl)-2-oxo-4-phenyl-1H-imidazol-3-yl]phenyl]benzenesulfonamide
CID 66829957
5-(2-benzylpiperazine-1-carbonyl)-3-(3-methylsulfonylphenyl)-4-phenyl-1H-imidazol-2-one
CID 66829895
[1-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-5-phenylimidazol-4-yl]-[(2R)-2-benzylpiperazin-1-yl]methanone
CID 69266967
N-[2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-2-oxo-4-phenyl-1H-imidazol-3-yl]phenyl]butane-1-sulfonamide
CID 59292275
2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-cyclohexyl-2-oxo-4-phenylimidazol-1-yl]acetamide
CID 59292560
5-(2-benzylpiperazine-1-carbonyl)-3-(3-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenyl-1H-imidazol-2-one
CID 67264727
[(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone
CID 25265687
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
(2-benzylpiperazin-1-yl)-(1-tert-butyl-5-phenylpyrazol-4-yl)methanone
CID 68986060
[(2R)-2-benzylpiperazin-1-yl]-[1-[(1R,2S)-2-hydroxycycloheptyl]-5-phenylimidazol-4-yl]methanone;hydrochloride
CID 68991399
[(2R)-2-benzylpiperazin-1-yl]-(5-methyl-1,2-diphenylpyrrol-3-yl)methanone
CID 59324752

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-[(1-hydroxycyclohexyl)methyl]-4-phenyl-1H-imidazol-2-one?
The IUPAC name of 5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-[(1-hydroxycyclohexyl)methyl]-4-phenyl-1H-imidazol-2-one (CID 59292704) is 5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-[(1-hydroxycyclohexyl)methyl]-4-phenyl-1H-imidazol-2-one.
What is the SMILES notation for 5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-[(1-hydroxycyclohexyl)methyl]-4-phenyl-1H-imidazol-2-one?
The canonical SMILES for 5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-[(1-hydroxycyclohexyl)methyl]-4-phenyl-1H-imidazol-2-one is O=C(c1[nH]c(=O)n(CC2(O)CCCCC2)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1.
What is the InChIKey of 5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-[(1-hydroxycyclohexyl)methyl]-4-phenyl-1H-imidazol-2-one?
The InChIKey is DRVMZKDNQQLRHW-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H34N4O3/c33-26(31-17-16-29-19-23(31)18-21-10-4-1-5-11-21)24-25(22-12-6-2-7-13-22)32(27(34)30-24)20-28(35)14-8-3-9-15-28/h1-2,4-7,10-13,23,29,35H,3,8-9,14-20H2,(H,30,34)/t23-/m1/s1.
What are the key properties of 5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-[(1-hydroxycyclohexyl)methyl]-4-phenyl-1H-imidazol-2-one?
5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-[(1-hydroxycyclohexyl)methyl]-4-phenyl-1H-imidazol-2-one has a molecular weight of 474.61 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-[(1-hydroxycyclohexyl)methyl]-4-phenyl-1H-imidazol-2-one is sourced from PubChem (CID 59292704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).