2-bromo-5-methyl-1-[(4-phenylphenyl)methyl]imidazole-4-carboxylic acid

C18H15BrN2O2 — CID 142503494

IUPAC2-bromo-5-methyl-1-[(4-phenylphenyl)methyl]imidazole-4-carboxylic acid
SMILESCc1c(C(=O)O)nc(Br)n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H15BrN2O2/c1-12-16(17(22)23)20-18(19)21(12)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,22,23)
InChIKeyIJNWCKZHAWOHJF-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.37
Rot. Bonds4

About 2-bromo-5-methyl-1-[(4-phenylphenyl)methyl]imidazole-4-carboxylic acid

2-bromo-5-methyl-1-[(4-phenylphenyl)methyl]imidazole-4-carboxylic acid (PubChem CID 142503494) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-bromo-5-methyl-1-[(4-phenylphenyl)methyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-bromo-5-methyl-1-[(4-phenylphenyl)methyl]imidazole-4-carboxylic acid
PubChem CID142503494
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name2-bromo-5-methyl-1-[(4-phenylphenyl)methyl]imidazole-4-carboxylic acid
SMILESCc1c(C(=O)O)nc(Br)n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H15BrN2O2/c1-12-16(17(22)23)20-18(19)21(12)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,22,23)
InChIKeyIJNWCKZHAWOHJF-UHFFFAOYSA-N
XLogP4.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone
CID 139467477
ethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate
CID 46929836
5-hydroxy-2-methyl-6-oxo-1-[2-(4-phenylphenyl)ethyl]pyrimidine-4-carboxylic acid
CID 129147473
5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one
CID 53191834
1-benzyl-5-(2-chlorophenyl)-2-phenylimidazole-4-carboxylic acid
CID 22437354
1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid
CID 11515406
2-methyl-1-[(4-phenylphenyl)methyl]indol-5-ol
CID 139659856
2-[[4-benzyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 20896466
methyl 2-[4-[(4-bromo-2-phenylbenzimidazol-1-yl)methyl]phenyl]acetate
CID 166067413
1-[(4-bromophenyl)methyl]-5-methyltriazole-4-carboxylic acid
CID 2794828
4-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid
CID 1239283
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-1-[(4-phenylphenyl)methyl]imidazole-4-carboxylic acid?
The IUPAC name of 2-bromo-5-methyl-1-[(4-phenylphenyl)methyl]imidazole-4-carboxylic acid (CID 142503494) is 2-bromo-5-methyl-1-[(4-phenylphenyl)methyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 2-bromo-5-methyl-1-[(4-phenylphenyl)methyl]imidazole-4-carboxylic acid?
The canonical SMILES for 2-bromo-5-methyl-1-[(4-phenylphenyl)methyl]imidazole-4-carboxylic acid is Cc1c(C(=O)O)nc(Br)n1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-bromo-5-methyl-1-[(4-phenylphenyl)methyl]imidazole-4-carboxylic acid?
The InChIKey is IJNWCKZHAWOHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-12-16(17(22)23)20-18(19)21(12)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,22,23).
What are the key properties of 2-bromo-5-methyl-1-[(4-phenylphenyl)methyl]imidazole-4-carboxylic acid?
2-bromo-5-methyl-1-[(4-phenylphenyl)methyl]imidazole-4-carboxylic acid has a molecular weight of 371.23 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-1-[(4-phenylphenyl)methyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 142503494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).