2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-cyclohexyl-2-oxo-4-phenylimidazol-1-yl]acetamide

C29H35N5O3 — CID 59292560

IUPAC2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-cyclohexyl-2-oxo-4-phenylimidazol-1-yl]acetamide
SMILESNC(=O)Cn1c(C(=O)N2CCNC[C@H]2Cc2ccccc2)c(-c2ccccc2)n(C2CCCCC2)c1=O
InChIInChI=1S/C29H35N5O3/c30-25(35)20-33-27(28(36)32-17-16-31-19-24(32)18-21-10-4-1-5-11-21)26(22-12-6-2-7-13-22)34(29(33)37)23-14-8-3-9-15-23/h1-2,4-7,10-13,23-24,31H,3,8-9,14-20H2,(H2,30,35)/t24-/m1/s1
InChIKeyJONPYVNRFXEUMQ-XMMPIXPASA-N
MW501.63 g/mol
LogP2.96
Rot. Bonds7

About 2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-cyclohexyl-2-oxo-4-phenylimidazol-1-yl]acetamide

2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-cyclohexyl-2-oxo-4-phenylimidazol-1-yl]acetamide (PubChem CID 59292560) has the molecular formula C29H35N5O3 and a molecular weight of 501.63 g/mol. Its IUPAC name is 2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-cyclohexyl-2-oxo-4-phenylimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-cyclohexyl-2-oxo-4-phenylimidazol-1-yl]acetamide
PubChem CID59292560
Molecular FormulaC29H35N5O3
Molecular Weight501.63 g/mol
Exact Mass501.27
IUPAC Name2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-cyclohexyl-2-oxo-4-phenylimidazol-1-yl]acetamide
SMILESNC(=O)Cn1c(C(=O)N2CCNC[C@H]2Cc2ccccc2)c(-c2ccccc2)n(C2CCCCC2)c1=O
InChIInChI=1S/C29H35N5O3/c30-25(35)20-33-27(28(36)32-17-16-31-19-24(32)18-21-10-4-1-5-11-21)26(22-12-6-2-7-13-22)34(29(33)37)23-14-8-3-9-15-23/h1-2,4-7,10-13,23-24,31H,3,8-9,14-20H2,(H2,30,35)/t24-/m1/s1
InChIKeyJONPYVNRFXEUMQ-XMMPIXPASA-N
XLogP2.96
TPSA102.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.63
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-cyclohexyl-2-oxo-4-phenylimidazol-1-yl]acetamide 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
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
2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one
CID 69174482
(2R)-2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one
CID 68990940
1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide
CID 143725255
(2-benzylpiperazin-1-yl)-(1-tert-butyl-5-phenylpyrazol-4-yl)methanone
CID 68986060
[(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone
CID 68985061
[(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone
CID 25265687
[(2R)-2-benzylpiperazin-1-yl]-(5-methyl-1,2-diphenylpyrrol-3-yl)methanone
CID 59324752
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
[(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2S)-2-hydroxycycloheptyl]-2-phenylimidazol-4-yl]methanone
CID 69255309

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-cyclohexyl-2-oxo-4-phenylimidazol-1-yl]acetamide?
The IUPAC name of 2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-cyclohexyl-2-oxo-4-phenylimidazol-1-yl]acetamide (CID 59292560) is 2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-cyclohexyl-2-oxo-4-phenylimidazol-1-yl]acetamide.
What is the SMILES notation for 2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-cyclohexyl-2-oxo-4-phenylimidazol-1-yl]acetamide?
The canonical SMILES for 2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-cyclohexyl-2-oxo-4-phenylimidazol-1-yl]acetamide is NC(=O)Cn1c(C(=O)N2CCNC[C@H]2Cc2ccccc2)c(-c2ccccc2)n(C2CCCCC2)c1=O.
What is the InChIKey of 2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-cyclohexyl-2-oxo-4-phenylimidazol-1-yl]acetamide?
The InChIKey is JONPYVNRFXEUMQ-XMMPIXPASA-N. The full InChI is InChI=1S/C29H35N5O3/c30-25(35)20-33-27(28(36)32-17-16-31-19-24(32)18-21-10-4-1-5-11-21)26(22-12-6-2-7-13-22)34(29(33)37)23-14-8-3-9-15-23/h1-2,4-7,10-13,23-24,31H,3,8-9,14-20H2,(H2,30,35)/t24-/m1/s1.
What are the key properties of 2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-cyclohexyl-2-oxo-4-phenylimidazol-1-yl]acetamide?
2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-cyclohexyl-2-oxo-4-phenylimidazol-1-yl]acetamide has a molecular weight of 501.63 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-cyclohexyl-2-oxo-4-phenylimidazol-1-yl]acetamide is sourced from PubChem (CID 59292560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).