2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid

C19H18N2O3 — CID 82559982

IUPAC2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid
SMILESCOc1ccc(Cc2nccn2Cc2ccccc2C(=O)O)cc1
InChIInChI=1S/C19H18N2O3/c1-24-16-8-6-14(7-9-16)12-18-20-10-11-21(18)13-15-4-2-3-5-17(15)19(22)23/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyKMCWYDCNTGKQHI-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.23
Rot. Bonds6

About 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid

2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid (PubChem CID 82559982) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid
PubChem CID82559982
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid
SMILESCOc1ccc(Cc2nccn2Cc2ccccc2C(=O)O)cc1
InChIInChI=1S/C19H18N2O3/c1-24-16-8-6-14(7-9-16)12-18-20-10-11-21(18)13-15-4-2-3-5-17(15)19(22)23/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyKMCWYDCNTGKQHI-UHFFFAOYSA-N
XLogP3.23
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]methyl]benzoic acid
CID 82560231
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557938
methyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate
CID 82560948
2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560728
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560569
methyl 2-[[2-(pyridin-3-ylmethyl)imidazol-1-yl]methyl]benzoate
CID 82560938
[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82557940
2-[[2-[(4-aminophenyl)methyl]imidazol-1-yl]methyl]benzenecarbothioamide
CID 82558661
2-[[2-[(2-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzenecarbothioamide
CID 82557961
2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol
CID 82559937
2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
CID 82561426
2-[[2-[(4-nitrophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560037

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid?
The IUPAC name of 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid (CID 82559982) is 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid.
What is the SMILES notation for 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid?
The canonical SMILES for 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid is COc1ccc(Cc2nccn2Cc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid?
The InChIKey is KMCWYDCNTGKQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-24-16-8-6-14(7-9-16)12-18-20-10-11-21(18)13-15-4-2-3-5-17(15)19(22)23/h2-11H,12-13H2,1H3,(H,22,23).
What are the key properties of 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid?
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid has a molecular weight of 322.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid is sourced from PubChem (CID 82559982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).