(E)-1-(3-chlorophenyl)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-en-1-ol

C19H17ClN2O — CID 88638081

IUPAC(E)-1-(3-chlorophenyl)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-en-1-ol
SMILESOC(/C=C/c1ccc(Cc2ncc[nH]2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H17ClN2O/c20-17-3-1-2-16(13-17)18(23)9-8-14-4-6-15(7-5-14)12-19-21-10-11-22-19/h1-11,13,18,23H,12H2,(H,21,22)/b9-8+
InChIKeyOSKIJQGJZWCBLJ-CMDGGOBGSA-N
MW324.81 g/mol
LogP4.40
Rot. Bonds5

About (E)-1-(3-chlorophenyl)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-en-1-ol

(E)-1-(3-chlorophenyl)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-en-1-ol (PubChem CID 88638081) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is (E)-1-(3-chlorophenyl)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(3-chlorophenyl)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-en-1-ol
PubChem CID88638081
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name(E)-1-(3-chlorophenyl)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-en-1-ol
SMILESOC(/C=C/c1ccc(Cc2ncc[nH]2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H17ClN2O/c20-17-3-1-2-16(13-17)18(23)9-8-14-4-6-15(7-5-14)12-19-21-10-11-22-19/h1-11,13,18,23H,12H2,(H,21,22)/b9-8+
InChIKeyOSKIJQGJZWCBLJ-CMDGGOBGSA-N
XLogP4.40
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-2-(3-chlorophenyl)ethyl]-1H-imidazole
CID 61086064
CID 88515189
CID 88515189
(E)-1-[4-(1H-imidazol-2-ylmethyl)phenyl]-7-methoxyhept-1-en-3-ol
CID 88658749
2-[[2-[(3-chlorophenyl)methylsulfanyl]phenyl]methyl]-1H-imidazole
CID 70637613
2-[3-(1H-imidazol-2-ylmethyl)phenyl]acetaldehyde
CID 87890417
N-[1-(3-chlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498055
3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-enyl 3-oxobutanoate
CID 70049124
2-benzyl-1H-imidazole;methanedithioic acid
CID 175933096
2-[(3,5-dimethylphenyl)methyl]-1H-imidazole
CID 174788270
(2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde
CID 140582980
2-[4-[(E)-3-hydroxy-3-(1H-imidazol-2-yl)prop-1-enyl]phenyl]-N-phenylacetamide
CID 155381875
(3-chlorophenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756107

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-chlorophenyl)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-1-(3-chlorophenyl)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-en-1-ol (CID 88638081) is (E)-1-(3-chlorophenyl)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-1-(3-chlorophenyl)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-1-(3-chlorophenyl)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-en-1-ol is OC(/C=C/c1ccc(Cc2ncc[nH]2)cc1)c1cccc(Cl)c1.
What is the InChIKey of (E)-1-(3-chlorophenyl)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-en-1-ol?
The InChIKey is OSKIJQGJZWCBLJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H17ClN2O/c20-17-3-1-2-16(13-17)18(23)9-8-14-4-6-15(7-5-14)12-19-21-10-11-22-19/h1-11,13,18,23H,12H2,(H,21,22)/b9-8+.
What are the key properties of (E)-1-(3-chlorophenyl)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-en-1-ol?
(E)-1-(3-chlorophenyl)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-en-1-ol has a molecular weight of 324.81 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-chlorophenyl)-3-[4-(1H-imidazol-2-ylmethyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 88638081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).