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

C24H20N6O3 — CID 54306982

IUPAC2-ethoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylic acid
SMILESCCOc1nc2c(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)ccc(C(=O)O)c2[nH]1
InChIInChI=1S/C24H20N6O3/c1-2-33-24-25-20-16(11-12-19(23(31)32)21(20)26-24)13-14-7-9-15(10-8-14)17-5-3-4-6-18(17)22-27-29-30-28-22/h3-12H,2,13H2,1H3,(H,25,26)(H,31,32)(H,27,28,29,30)
InChIKeySIFHMTMNJPELCB-UHFFFAOYSA-N
MW440.46 g/mol
LogP4.10
Rot. Bonds7

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

2-ethoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylic acid (PubChem CID 54306982) has the molecular formula C24H20N6O3 and a molecular weight of 440.46 g/mol. Its IUPAC name is 2-ethoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-ethoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylic acid
PubChem CID54306982
Molecular FormulaC24H20N6O3
Molecular Weight440.46 g/mol
Exact Mass440.16
IUPAC Name2-ethoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylic acid
SMILESCCOc1nc2c(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)ccc(C(=O)O)c2[nH]1
InChIInChI=1S/C24H20N6O3/c1-2-33-24-25-20-16(11-12-19(23(31)32)21(20)26-24)13-14-7-9-15(10-8-14)17-5-3-4-6-18(17)22-27-29-30-28-22/h3-12H,2,13H2,1H3,(H,25,26)(H,31,32)(H,27,28,29,30)
InChIKeySIFHMTMNJPELCB-UHFFFAOYSA-N
XLogP4.10
TPSA129.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-2-propoxy-3H-benzimidazole-4-carboxylic acid
CID 139619630
7-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methyl-1H-benzimidazole-4-carboxylic acid
CID 67580312
2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 2541
4-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-imidazole-2-carboxylic acid
CID 68573291
2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
CID 14950487
methyl 2-ethoxy-7-ethyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate
CID 67579318
6-oxo-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1H-pyridine-3-carboxylic acid
CID 15657962
2-ethoxy-6-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-4-carboxylic acid
CID 15291936
2-ethyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,5-dihydropyrazole-4-carboxylic acid
CID 67756605
2-[6-butyl-2-methyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-yl]oxyacetic acid
CID 154323592
2-[4-(bromomethyl)phenyl]benzoic acid;2-[4-(bromomethyl)phenyl]benzonitrile;5-[2-[4-(bromomethyl)phenyl]phenyl]-2H-tetrazole;methyl 2-[4-(bromomethyl)phenyl]benzoate
CID 160863630
2-butyl-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-7-carboxylic acid
CID 24886966

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-ethoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylic acid (CID 54306982) is 2-ethoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-ethoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-ethoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylic acid is CCOc1nc2c(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)ccc(C(=O)O)c2[nH]1.
What is the InChIKey of 2-ethoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylic acid?
The InChIKey is SIFHMTMNJPELCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O3/c1-2-33-24-25-20-16(11-12-19(23(31)32)21(20)26-24)13-14-7-9-15(10-8-14)17-5-3-4-6-18(17)22-27-29-30-28-22/h3-12H,2,13H2,1H3,(H,25,26)(H,31,32)(H,27,28,29,30).
What are the key properties of 2-ethoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylic acid?
2-ethoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylic acid has a molecular weight of 440.46 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 54306982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).