2,5-diphenyl-1H-imidazole;2-methylbenzene-1,3-dicarboxylic acid

C24H20N2O4 — CID 174426614

IUPAC2,5-diphenyl-1H-imidazole;2-methylbenzene-1,3-dicarboxylic acid
SMILESCc1c(C(=O)O)cccc1C(=O)O.c1ccc(-c2cnc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C15H12N2.C9H8O4/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13;1-5-6(8(10)11)3-2-4-7(5)9(12)13/h1-11H,(H,16,17);2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyHBVJQIIKRXUOCV-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.14
Rot. Bonds4

About 2,5-diphenyl-1H-imidazole;2-methylbenzene-1,3-dicarboxylic acid

2,5-diphenyl-1H-imidazole;2-methylbenzene-1,3-dicarboxylic acid (PubChem CID 174426614) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2,5-diphenyl-1H-imidazole;2-methylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2,5-diphenyl-1H-imidazole;2-methylbenzene-1,3-dicarboxylic acid
PubChem CID174426614
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2,5-diphenyl-1H-imidazole;2-methylbenzene-1,3-dicarboxylic acid
SMILESCc1c(C(=O)O)cccc1C(=O)O.c1ccc(-c2cnc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C15H12N2.C9H8O4/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13;1-5-6(8(10)11)3-2-4-7(5)9(12)13/h1-11H,(H,16,17);2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyHBVJQIIKRXUOCV-UHFFFAOYSA-N
XLogP5.14
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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-butyl-5-[(E)-2-carboxy-3-phenylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952959
3-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]benzoic acid
CID 59345567
4-(4-Phenyl-5-p-tolyl-1H-imidazol-2-yl)-benzoic acid
CID 1101900
Methyl 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]-benzoate
CID 10133915
4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-1H-imidazol-2-yl]benzoic acid
CID 10619549
4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]benzoic acid
CID 11057468
(S)-7-(N,N-dimethylsulfamoylamino)-7-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)heptanoic acid
CID 11635398
2-[14-(Carboxymethyl)-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-4-yl]benzoic acid
CID 18694042
3-[14-(Carboxymethyl)-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-4-yl]benzoic acid
CID 18694051
4-[14-(Carboxymethyl)-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-4-yl]benzoic acid
CID 18694066

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-1H-imidazole;2-methylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 2,5-diphenyl-1H-imidazole;2-methylbenzene-1,3-dicarboxylic acid (CID 174426614) is 2,5-diphenyl-1H-imidazole;2-methylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 2,5-diphenyl-1H-imidazole;2-methylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 2,5-diphenyl-1H-imidazole;2-methylbenzene-1,3-dicarboxylic acid is Cc1c(C(=O)O)cccc1C(=O)O.c1ccc(-c2cnc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2,5-diphenyl-1H-imidazole;2-methylbenzene-1,3-dicarboxylic acid?
The InChIKey is HBVJQIIKRXUOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2.C9H8O4/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13;1-5-6(8(10)11)3-2-4-7(5)9(12)13/h1-11H,(H,16,17);2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 2,5-diphenyl-1H-imidazole;2-methylbenzene-1,3-dicarboxylic acid?
2,5-diphenyl-1H-imidazole;2-methylbenzene-1,3-dicarboxylic acid has a molecular weight of 400.43 g/mol, XLogP of 5.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-1H-imidazole;2-methylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 174426614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).