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

C27H32N4O3 — CID 68662785

IUPAC5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-(2-hydroxycyclohexyl)-4-phenyl-1H-imidazol-2-one
SMILESO=C(c1[nH]c(=O)n(C2CCCCC2O)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C27H32N4O3/c32-23-14-8-7-13-22(23)31-25(20-11-5-2-6-12-20)24(29-27(31)34)26(33)30-16-15-28-18-21(30)17-19-9-3-1-4-10-19/h1-6,9-12,21-23,28,32H,7-8,13-18H2,(H,29,34)/t21-,22?,23?/m1/s1
InChIKeyVXUNSCXRZQLBLG-DDRJZQQSSA-N
MW460.58 g/mol
LogP2.98
Rot. Bonds5

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

5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-(2-hydroxycyclohexyl)-4-phenyl-1H-imidazol-2-one (PubChem CID 68662785) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is 5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-(2-hydroxycyclohexyl)-4-phenyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-(2-hydroxycyclohexyl)-4-phenyl-1H-imidazol-2-one
PubChem CID68662785
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-(2-hydroxycyclohexyl)-4-phenyl-1H-imidazol-2-one
SMILESO=C(c1[nH]c(=O)n(C2CCCCC2O)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C27H32N4O3/c32-23-14-8-7-13-22(23)31-25(20-11-5-2-6-12-20)24(29-27(31)34)26(33)30-16-15-28-18-21(30)17-19-9-3-1-4-10-19/h1-6,9-12,21-23,28,32H,7-8,13-18H2,(H,29,34)/t21-,22?,23?/m1/s1
InChIKeyVXUNSCXRZQLBLG-DDRJZQQSSA-N
XLogP2.98
TPSA90.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-[(1-hydroxycyclohexyl)methyl]-4-phenyl-1H-imidazol-2-one
CID 59292704
[(2R)-2-benzylpiperazin-1-yl]-[1-[(1R,2S)-2-hydroxycycloheptyl]-5-phenylimidazol-4-yl]methanone;hydrochloride
CID 68991399
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-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenyl-1H-imidazol-2-one
CID 67264727
5-(2-benzylpiperazine-1-carbonyl)-3-(3-methylsulfonylphenyl)-4-phenyl-1H-imidazol-2-one
CID 66829895
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
[(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone
CID 68985061
[(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2S)-2-hydroxycycloheptyl]-2-phenylimidazol-4-yl]methanone
CID 69255309
2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-cyclohexyl-2-oxo-4-phenylimidazol-1-yl]acetamide
CID 59292560
(2R)-2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one
CID 68990940
2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one
CID 69174482
[1-[(1S,2R)-2-hydroxycyclohexyl]-5-phenylimidazol-4-yl]-[(2R)-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 68986785

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-(2-hydroxycyclohexyl)-4-phenyl-1H-imidazol-2-one?
The IUPAC name of 5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-(2-hydroxycyclohexyl)-4-phenyl-1H-imidazol-2-one (CID 68662785) is 5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-(2-hydroxycyclohexyl)-4-phenyl-1H-imidazol-2-one.
What is the SMILES notation for 5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-(2-hydroxycyclohexyl)-4-phenyl-1H-imidazol-2-one?
The canonical SMILES for 5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-(2-hydroxycyclohexyl)-4-phenyl-1H-imidazol-2-one is O=C(c1[nH]c(=O)n(C2CCCCC2O)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1.
What is the InChIKey of 5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-(2-hydroxycyclohexyl)-4-phenyl-1H-imidazol-2-one?
The InChIKey is VXUNSCXRZQLBLG-DDRJZQQSSA-N. The full InChI is InChI=1S/C27H32N4O3/c32-23-14-8-7-13-22(23)31-25(20-11-5-2-6-12-20)24(29-27(31)34)26(33)30-16-15-28-18-21(30)17-19-9-3-1-4-10-19/h1-6,9-12,21-23,28,32H,7-8,13-18H2,(H,29,34)/t21-,22?,23?/m1/s1.
What are the key properties of 5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-(2-hydroxycyclohexyl)-4-phenyl-1H-imidazol-2-one?
5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-(2-hydroxycyclohexyl)-4-phenyl-1H-imidazol-2-one has a molecular weight of 460.58 g/mol, XLogP of 2.98, 5 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-(2-hydroxycyclohexyl)-4-phenyl-1H-imidazol-2-one is sourced from PubChem (CID 68662785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).