(2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoic acid

C19H22N2O3 — CID 683165

IUPAC(2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoic acid
SMILESO=C(C[C@@H](C(=O)O)n1ccnc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H22N2O3/c22-18(12-17(19(23)24)21-11-10-20-13-21)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-11,13-14,17H,1-5,12H2,(H,23,24)/t17-/m0/s1
InChIKeyJAEVIBGVMKCWNM-KRWDZBQOSA-N
MW326.40 g/mol
LogP3.83
Rot. Bonds6

About (2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoic acid

(2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoic acid (PubChem CID 683165) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoic acid
PubChem CID683165
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoic acid
SMILESO=C(C[C@@H](C(=O)O)n1ccnc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H22N2O3/c22-18(12-17(19(23)24)21-11-10-20-13-21)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-11,13-14,17H,1-5,12H2,(H,23,24)/t17-/m0/s1
InChIKeyJAEVIBGVMKCWNM-KRWDZBQOSA-N
XLogP3.83
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoate
CID 7307672
1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone
CID 54279792
1-(4-cyclohexylphenyl)-2-pyridin-4-ylethanone
CID 22282352
1-(4-cyclopentyl-2-methylphenyl)-2-imidazol-1-ylethanone
CID 20561718
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
1-(4-cyclohexylphenyl)-2-methylsulfanylethanone
CID 71165542
(4-cyclohexylphenyl)-pyridin-4-ylmethanone
CID 43160506
1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)ethanone
CID 18336251
4-(4-cyclohexylphenyl)-4-oxobutanal
CID 175457718
4-cyclohexyl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 60526309
tris(4-cyclohexylphenyl)-phenacylphosphanium
CID 139734395

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoic acid?
The IUPAC name of (2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoic acid (CID 683165) is (2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoic acid is O=C(C[C@@H](C(=O)O)n1ccnc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoic acid?
The InChIKey is JAEVIBGVMKCWNM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18(12-17(19(23)24)21-11-10-20-13-21)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-11,13-14,17H,1-5,12H2,(H,23,24)/t17-/m0/s1.
What are the key properties of (2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoic acid?
(2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoic acid has a molecular weight of 326.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoic acid is sourced from PubChem (CID 683165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).