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

C24H21N7O2 — CID 15654703

IUPAC2-(ethylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
SMILESCCNc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H21N7O2/c1-2-25-24-26-20-9-5-8-19(23(32)33)21(20)31(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-29-30-28-22/h3-13H,2,14H2,1H3,(H,25,26)(H,32,33)(H,27,28,29,30)
InChIKeyAPMNCEGMCPPDAT-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.06
Rot. Bonds7

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

2-(ethylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid (PubChem CID 15654703) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 2-(ethylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(ethylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
PubChem CID15654703
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name2-(ethylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
SMILESCCNc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H21N7O2/c1-2-25-24-26-20-9-5-8-19(23(32)33)21(20)31(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-29-30-28-22/h3-13H,2,14H2,1H3,(H,25,26)(H,32,33)(H,27,28,29,30)
InChIKeyAPMNCEGMCPPDAT-UHFFFAOYSA-N
XLogP4.06
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(ethylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid (CID 15654703) is 2-(ethylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(ethylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(ethylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid is CCNc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-(ethylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid?
The InChIKey is APMNCEGMCPPDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-2-25-24-26-20-9-5-8-19(23(32)33)21(20)31(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-29-30-28-22/h3-13H,2,14H2,1H3,(H,25,26)(H,32,33)(H,27,28,29,30).
What are the key properties of 2-(ethylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid?
2-(ethylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid has a molecular weight of 439.48 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 15654703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).