7-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid

C24H20N6O3 — CID 67580312

IUPAC7-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid
SMILESCCOc1cc(-c2ccc(C(=O)O)c3nc(C)[nH]c23)ccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C24H20N6O3/c1-3-33-20-12-14(15-10-11-19(24(31)32)22-21(15)25-13(2)26-22)8-9-17(20)16-6-4-5-7-18(16)23-27-29-30-28-23/h4-12H,3H2,1-2H3,(H,25,26)(H,31,32)(H,27,28,29,30)
InChIKeyPESFUYXFBORAOV-UHFFFAOYSA-N
MW440.46 g/mol
LogP4.48
Rot. Bonds6

About 7-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid

7-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid (PubChem CID 67580312) has the molecular formula C24H20N6O3 and a molecular weight of 440.46 g/mol. Its IUPAC name is 7-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name7-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid
PubChem CID67580312
Molecular FormulaC24H20N6O3
Molecular Weight440.46 g/mol
Exact Mass440.16
IUPAC Name7-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid
SMILESCCOc1cc(-c2ccc(C(=O)O)c3nc(C)[nH]c23)ccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C24H20N6O3/c1-3-33-20-12-14(15-10-11-19(24(31)32)22-21(15)25-13(2)26-22)8-9-17(20)16-6-4-5-7-18(16)23-27-29-30-28-23/h4-12H,3H2,1-2H3,(H,25,26)(H,31,32)(H,27,28,29,30)
InChIKeyPESFUYXFBORAOV-UHFFFAOYSA-N
XLogP4.48
TPSA129.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic 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-ethoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylic acid
CID 54306982
methyl 3-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methylbenzimidazole-4-carboxylate
CID 67579147
2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
CID 14950487
3-[3-methoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methylbenzimidazole-4-carboxylic acid
CID 67647218
acetyloxymethyl 3-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methylbenzimidazole-4-carboxylate
CID 67579692
2-(2H-tetrazol-5-yl)benzoic acid
CID 555192
2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 2541
ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate
CID 57246030
3-[[2,5-difluoro-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylic acid
CID 139726018
methyl 2-ethoxy-7-ethyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate
CID 67579318
2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid
CID 7139654
2-ethoxy-6-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-4-carboxylic acid
CID 15291936

Frequently Asked Questions

What is the IUPAC name of 7-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 7-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid (CID 67580312) is 7-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 7-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 7-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid is CCOc1cc(-c2ccc(C(=O)O)c3nc(C)[nH]c23)ccc1-c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 7-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid?
The InChIKey is PESFUYXFBORAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O3/c1-3-33-20-12-14(15-10-11-19(24(31)32)22-21(15)25-13(2)26-22)8-9-17(20)16-6-4-5-7-18(16)23-27-29-30-28-23/h4-12H,3H2,1-2H3,(H,25,26)(H,31,32)(H,27,28,29,30).
What are the key properties of 7-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid?
7-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid has a molecular weight of 440.46 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 67580312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).