5-[(5-formyl-1H-imidazol-2-yl)methyl]-2-phenylbenzoic acid

C18H14N2O3 — CID 23057634

IUPAC5-[(5-formyl-1H-imidazol-2-yl)methyl]-2-phenylbenzoic acid
SMILESO=Cc1cnc(Cc2ccc(-c3ccccc3)c(C(=O)O)c2)[nH]1
InChIInChI=1S/C18H14N2O3/c21-11-14-10-19-17(20-14)9-12-6-7-15(16(8-12)18(22)23)13-4-2-1-3-5-13/h1-8,10-11H,9H2,(H,19,20)(H,22,23)
InChIKeyQLVCYFJHHLXXNS-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.18
Rot. Bonds5

About 5-[(5-formyl-1H-imidazol-2-yl)methyl]-2-phenylbenzoic acid

5-[(5-formyl-1H-imidazol-2-yl)methyl]-2-phenylbenzoic acid (PubChem CID 23057634) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 5-[(5-formyl-1H-imidazol-2-yl)methyl]-2-phenylbenzoic acid.

Molecular Properties

Compound Name5-[(5-formyl-1H-imidazol-2-yl)methyl]-2-phenylbenzoic acid
PubChem CID23057634
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name5-[(5-formyl-1H-imidazol-2-yl)methyl]-2-phenylbenzoic acid
SMILESO=Cc1cnc(Cc2ccc(-c3ccccc3)c(C(=O)O)c2)[nH]1
InChIInChI=1S/C18H14N2O3/c21-11-14-10-19-17(20-14)9-12-6-7-15(16(8-12)18(22)23)13-4-2-1-3-5-13/h1-8,10-11H,9H2,(H,19,20)(H,22,23)
InChIKeyQLVCYFJHHLXXNS-UHFFFAOYSA-N
XLogP3.18
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
CID 25025654
2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
CID 46845425
4''-(2-(5-neopentyl-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
CID 25025858
4''-(2-(4-(cyclohexylmethyl)-1H-imidazol-2-yl)ethyl)-4,5-difluorobiphenyl-2-carboxylic acid
CID 46885311
3-[[4-(2-Carboxyphenyl)phenyl]methyl]-2-propylimidazole-4-carboxylic acid
CID 10642523
4''-(2-(5-benzyl-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
CID 46881416
4''-(2-(5-phenethyl-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
CID 46881417
2-[4-[2-[5-[(2-cyanophenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
CID 46881419
2-[4-[2-[5-[(3-cyanophenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
CID 46881470
2-[4-[2-[5-[(2-methylphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
CID 46881471
2-[4-[2-[5-[(3-methylphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
CID 46881472
2-[4-[2-[5-[(3-fluorophenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
CID 46881473

Frequently Asked Questions

What is the IUPAC name of 5-[(5-formyl-1H-imidazol-2-yl)methyl]-2-phenylbenzoic acid?
The IUPAC name of 5-[(5-formyl-1H-imidazol-2-yl)methyl]-2-phenylbenzoic acid (CID 23057634) is 5-[(5-formyl-1H-imidazol-2-yl)methyl]-2-phenylbenzoic acid.
What is the SMILES notation for 5-[(5-formyl-1H-imidazol-2-yl)methyl]-2-phenylbenzoic acid?
The canonical SMILES for 5-[(5-formyl-1H-imidazol-2-yl)methyl]-2-phenylbenzoic acid is O=Cc1cnc(Cc2ccc(-c3ccccc3)c(C(=O)O)c2)[nH]1.
What is the InChIKey of 5-[(5-formyl-1H-imidazol-2-yl)methyl]-2-phenylbenzoic acid?
The InChIKey is QLVCYFJHHLXXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-11-14-10-19-17(20-14)9-12-6-7-15(16(8-12)18(22)23)13-4-2-1-3-5-13/h1-8,10-11H,9H2,(H,19,20)(H,22,23).
What are the key properties of 5-[(5-formyl-1H-imidazol-2-yl)methyl]-2-phenylbenzoic acid?
5-[(5-formyl-1H-imidazol-2-yl)methyl]-2-phenylbenzoic acid has a molecular weight of 306.32 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-formyl-1H-imidazol-2-yl)methyl]-2-phenylbenzoic acid is sourced from PubChem (CID 23057634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).