2-[4-[(5-ethoxycarbonyl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid

C23H24N2O4 — CID 10572599

IUPAC2-[4-[(5-ethoxycarbonyl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid
SMILESCCCc1ncc(C(=O)OCC)n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C23H24N2O4/c1-3-7-21-24-14-20(23(28)29-4-2)25(21)15-16-10-12-17(13-11-16)18-8-5-6-9-19(18)22(26)27/h5-6,8-14H,3-4,7,15H2,1-2H3,(H,26,27)
InChIKeyPGHOLXBVLQJEOE-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.43
Rot. Bonds8

About 2-[4-[(5-ethoxycarbonyl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid

2-[4-[(5-ethoxycarbonyl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid (PubChem CID 10572599) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[4-[(5-ethoxycarbonyl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[(5-ethoxycarbonyl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid
PubChem CID10572599
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[4-[(5-ethoxycarbonyl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid
SMILESCCCc1ncc(C(=O)OCC)n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C23H24N2O4/c1-3-7-21-24-14-20(23(28)29-4-2)25(21)15-16-10-12-17(13-11-16)18-8-5-6-9-19(18)22(26)27/h5-6,8-14H,3-4,7,15H2,1-2H3,(H,26,27)
InChIKeyPGHOLXBVLQJEOE-UHFFFAOYSA-N
XLogP4.43
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-ethoxycarbonyl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid
CID 10644217
2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 10834137
methyl 2-[4-[(5-formyl-2-propylimidazol-1-yl)methyl]phenyl]benzoate
CID 11035827
2-[4-[[2-butyl-5-ethoxycarbonyl-4-(2-hydroxypropan-2-yl)imidazol-1-yl]methyl]phenyl]benzoic acid
CID 10552093
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 71433668
2-[4-[(1,3-dimethyl-5-oxo-1,2,4-triazol-4-yl)methyl]phenyl]benzoic acid
CID 59969188
2-[4-[[2-butyl-5-carbamoyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid
CID 19963336
2-[4-[(6-carbonochloridoyl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
CID 19964443
3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(3-ethoxy-3-oxopropanoyl)-2-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxylic acid
CID 67757379
methyl 2-[4-[(6-chloro-7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoate
CID 21464282
2-[4-[[4-ethoxycarbonyl-5-(3-ethoxy-3-oxopropanoyl)-2-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]benzoic acid
CID 15291708
2-[4-[(4-methyl-2-oxo-3-propanoyl-5-propylimidazol-1-yl)methyl]phenyl]benzoic acid
CID 19740461

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethoxycarbonyl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[(5-ethoxycarbonyl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid (CID 10572599) is 2-[4-[(5-ethoxycarbonyl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[(5-ethoxycarbonyl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[(5-ethoxycarbonyl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid is CCCc1ncc(C(=O)OCC)n1Cc1ccc(-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[4-[(5-ethoxycarbonyl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid?
The InChIKey is PGHOLXBVLQJEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-7-21-24-14-20(23(28)29-4-2)25(21)15-16-10-12-17(13-11-16)18-8-5-6-9-19(18)22(26)27/h5-6,8-14H,3-4,7,15H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-[(5-ethoxycarbonyl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid?
2-[4-[(5-ethoxycarbonyl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid has a molecular weight of 392.46 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethoxycarbonyl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid is sourced from PubChem (CID 10572599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).