(E)-3-(2,4-diphenyl-1H-imidazol-5-yl)prop-2-enoic acid

C18H14N2O2 — CID 139657150

IUPAC(E)-3-(2,4-diphenyl-1H-imidazol-5-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1[nH]c(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H14N2O2/c21-16(22)12-11-15-17(13-7-3-1-4-8-13)20-18(19-15)14-9-5-2-6-10-14/h1-12H,(H,19,20)(H,21,22)/b12-11+
InChIKeyPYUZSQCONWKKEO-VAWYXSNFSA-N
MW290.32 g/mol
LogP3.84
Rot. Bonds4

About (E)-3-(2,4-diphenyl-1H-imidazol-5-yl)prop-2-enoic acid

(E)-3-(2,4-diphenyl-1H-imidazol-5-yl)prop-2-enoic acid (PubChem CID 139657150) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is (E)-3-(2,4-diphenyl-1H-imidazol-5-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2,4-diphenyl-1H-imidazol-5-yl)prop-2-enoic acid
PubChem CID139657150
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name(E)-3-(2,4-diphenyl-1H-imidazol-5-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1[nH]c(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H14N2O2/c21-16(22)12-11-15-17(13-7-3-1-4-8-13)20-18(19-15)14-9-5-2-6-10-14/h1-12H,(H,19,20)(H,21,22)/b12-11+
InChIKeyPYUZSQCONWKKEO-VAWYXSNFSA-N
XLogP3.84
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-phenyl-3H-benzimidazol-5-yl)prop-2-enoic acid
CID 82501426
3-[4-[4-[4-(2-carboxyethenyl)phenyl]-2-(3-fluorophenyl)-1H-imidazol-5-yl]phenyl]prop-2-enoic acid
CID 85051052
3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]prop-2-enoic acid
CID 168551832
1-(2,4-diphenyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanone
CID 154708152
3-[4-[3-[4-(2-carboxyethenyl)phenyl]quinoxalin-2-yl]phenyl]prop-2-enoic acid
CID 85135187
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
(E)-3-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]prop-2-enoic acid
CID 82295029
4-[4-[4-[4-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]benzoyl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 135533952
(E)-3-[4-[(5-chloro-4-phenyl-1H-imidazol-2-yl)methyl]phenyl]prop-2-enoic acid
CID 58740787
(E)-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)prop-2-enoic acid
CID 170872194
N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide
CID 135280728

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-diphenyl-1H-imidazol-5-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(2,4-diphenyl-1H-imidazol-5-yl)prop-2-enoic acid (CID 139657150) is (E)-3-(2,4-diphenyl-1H-imidazol-5-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(2,4-diphenyl-1H-imidazol-5-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(2,4-diphenyl-1H-imidazol-5-yl)prop-2-enoic acid is O=C(O)/C=C/c1[nH]c(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (E)-3-(2,4-diphenyl-1H-imidazol-5-yl)prop-2-enoic acid?
The InChIKey is PYUZSQCONWKKEO-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-16(22)12-11-15-17(13-7-3-1-4-8-13)20-18(19-15)14-9-5-2-6-10-14/h1-12H,(H,19,20)(H,21,22)/b12-11+.
What are the key properties of (E)-3-(2,4-diphenyl-1H-imidazol-5-yl)prop-2-enoic acid?
(E)-3-(2,4-diphenyl-1H-imidazol-5-yl)prop-2-enoic acid has a molecular weight of 290.32 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-diphenyl-1H-imidazol-5-yl)prop-2-enoic acid is sourced from PubChem (CID 139657150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).