(3R)-3-benzyl-4-[2-methyl-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid

C33H35N5O4 — CID 68663890

IUPAC(3R)-3-benzyl-4-[2-methyl-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid
SMILESCc1nc(C(=O)N2CCN(C(=O)O)C[C@H]2Cc2ccccc2)c(-c2ccccc2)n1-c1cccc(N2CCOCC2)c1
InChIInChI=1S/C33H35N5O4/c1-24-34-30(32(39)37-16-15-36(33(40)41)23-29(37)21-25-9-4-2-5-10-25)31(26-11-6-3-7-12-26)38(24)28-14-8-13-27(22-28)35-17-19-42-20-18-35/h2-14,22,29H,15-21,23H2,1H3,(H,40,41)/t29-/m1/s1
InChIKeyLZAVHJZPIJDIGS-GDLZYMKVSA-N
MW565.67 g/mol
LogP4.73
Rot. Bonds6

About (3R)-3-benzyl-4-[2-methyl-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid

(3R)-3-benzyl-4-[2-methyl-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid (PubChem CID 68663890) has the molecular formula C33H35N5O4 and a molecular weight of 565.67 g/mol. Its IUPAC name is (3R)-3-benzyl-4-[2-methyl-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-benzyl-4-[2-methyl-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid
PubChem CID68663890
Molecular FormulaC33H35N5O4
Molecular Weight565.67 g/mol
Exact Mass565.27
IUPAC Name(3R)-3-benzyl-4-[2-methyl-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid
SMILESCc1nc(C(=O)N2CCN(C(=O)O)C[C@H]2Cc2ccccc2)c(-c2ccccc2)n1-c1cccc(N2CCOCC2)c1
InChIInChI=1S/C33H35N5O4/c1-24-34-30(32(39)37-16-15-36(33(40)41)23-29(37)21-25-9-4-2-5-10-25)31(26-11-6-3-7-12-26)38(24)28-14-8-13-27(22-28)35-17-19-42-20-18-35/h2-14,22,29H,15-21,23H2,1H3,(H,40,41)/t29-/m1/s1
InChIKeyLZAVHJZPIJDIGS-GDLZYMKVSA-N
XLogP4.73
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.67
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-3-benzyl-4-[2-methyl-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid with MolForge

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Related Compounds

[(2R)-2-benzylpiperazin-1-yl]-[1-(3-morpholin-4-ylphenyl)-5-phenylimidazol-4-yl]methanone
CID 23585728
(3R)-3-benzyl-4-[1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid
CID 68665283
ethyl 1-[3-[3-[(2R)-2,4-dibenzylpiperazine-1-carbonyl]-5-methyl-2-phenylpyrrol-1-yl]phenyl]piperidine-4-carboxylate
CID 59324949
4-[1-(3-bromophenyl)-5-methyl-2-phenylpyrrole-3-carbonyl]-3-[(2-methoxyphenyl)methyl]piperazine-1-carboxylic acid
CID 69266589
(3R)-3-benzyl-4-[1-[(1S)-2-oxocyclohexyl]-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid
CID 68989002
(3R)-3-benzyl-4-(3,4-diphenyl-1H-pyrazole-5-carbonyl)piperazine-1-carboxylic acid
CID 68665680
(3R)-3-benzyl-4-[1-[2-hydroxy-2-(3-methoxypropoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid
CID 68990430
2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one
CID 72948579
[(2R)-2,4-dibenzylpiperazin-1-yl]-[5-methyl-2-phenyl-1-[3-(2H-tetrazol-5-yl)phenyl]pyrrol-3-yl]methanone
CID 59325096
N-(3-amino-3-oxopropyl)-1-[3-[3-[(2R)-2,4-dibenzylpiperazine-1-carbonyl]-5-methyl-2-phenylpyrrol-1-yl]phenyl]piperidine-4-carboxamide
CID 59325185
(3R)-3-[[(7-amino-2-methyl-3,7-dioxoheptan-2-yl)amino]methyl]-4-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)piperazine-1-carboxylic acid
CID 69267424
(3R)-3-benzyl-4-[5-phenyl-1-[(1S,2S)-2-prop-2-enoxycyclohexyl]imidazole-4-carbonyl]piperazine-1-carboxylic acid
CID 68992214

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-4-[2-methyl-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid?
The IUPAC name of (3R)-3-benzyl-4-[2-methyl-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid (CID 68663890) is (3R)-3-benzyl-4-[2-methyl-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-benzyl-4-[2-methyl-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid?
The canonical SMILES for (3R)-3-benzyl-4-[2-methyl-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid is Cc1nc(C(=O)N2CCN(C(=O)O)C[C@H]2Cc2ccccc2)c(-c2ccccc2)n1-c1cccc(N2CCOCC2)c1.
What is the InChIKey of (3R)-3-benzyl-4-[2-methyl-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid?
The InChIKey is LZAVHJZPIJDIGS-GDLZYMKVSA-N. The full InChI is InChI=1S/C33H35N5O4/c1-24-34-30(32(39)37-16-15-36(33(40)41)23-29(37)21-25-9-4-2-5-10-25)31(26-11-6-3-7-12-26)38(24)28-14-8-13-27(22-28)35-17-19-42-20-18-35/h2-14,22,29H,15-21,23H2,1H3,(H,40,41)/t29-/m1/s1.
What are the key properties of (3R)-3-benzyl-4-[2-methyl-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid?
(3R)-3-benzyl-4-[2-methyl-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid has a molecular weight of 565.67 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-4-[2-methyl-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68663890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).