methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate

C17H13ClN2O2 — CID 156703620

IUPACmethyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]c(-c2ccccc2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C17H13ClN2O2/c1-22-17(21)15-14(12-8-5-9-13(18)10-12)19-16(20-15)11-6-3-2-4-7-11/h2-10H,1H3,(H,19,20)
InChIKeyUHLGZEHCXSKXCE-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.18
Rot. Bonds3

About methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate

methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate (PubChem CID 156703620) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate
PubChem CID156703620
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Namemethyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]c(-c2ccccc2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C17H13ClN2O2/c1-22-17(21)15-14(12-8-5-9-13(18)10-12)19-16(20-15)11-6-3-2-4-7-11/h2-10H,1H3,(H,19,20)
InChIKeyUHLGZEHCXSKXCE-UHFFFAOYSA-N
XLogP4.18
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 156703614
methyl 5-chloro-2-phenyl-1H-imidazole-4-carboxylate
CID 69111578
4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one
CID 135453967
ethyl 4-(4-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605731
methyl 2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 121364830
methyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate
CID 117225195
methyl 5-(3-chlorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxylate
CID 53271225
methyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate
CID 625236
methyl 5-bromo-6-(3-chlorophenyl)pyrazine-2-carboxylate
CID 86682315
5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one
CID 79431425
5-tert-butyl-2-(3-chlorophenyl)-1H-imidazole-4-carboxylic acid
CID 62532435
4-(3-chlorophenyl)-5-phenyl-2-[3-(2-phenylethynyl)phenyl]-1H-imidazole
CID 42536097

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate (CID 156703620) is methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate is COC(=O)c1[nH]c(-c2ccccc2)nc1-c1cccc(Cl)c1.
What is the InChIKey of methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate?
The InChIKey is UHLGZEHCXSKXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-22-17(21)15-14(12-8-5-9-13(18)10-12)19-16(20-15)11-6-3-2-4-7-11/h2-10H,1H3,(H,19,20).
What are the key properties of methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate?
methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate has a molecular weight of 312.76 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 156703620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).