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

C24H23N7O2 — CID 15224471

IUPAC2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid
SMILESCCCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2cccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H23N7O2/c1-2-3-9-21-25-19-7-4-6-18(24(32)33)22(19)31(21)15-16-10-12-17(13-11-16)30-14-5-8-20(30)23-26-28-29-27-23/h4-8,10-14H,2-3,9,15H2,1H3,(H,32,33)(H,26,27,28,29)
InChIKeyACUBPBCHAVPOHH-UHFFFAOYSA-N
MW441.50 g/mol
LogP4.10
Rot. Bonds8

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

2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid (PubChem CID 15224471) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid
PubChem CID15224471
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid
SMILESCCCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2cccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H23N7O2/c1-2-3-9-21-25-19-7-4-6-18(24(32)33)22(19)31(21)15-16-10-12-17(13-11-16)30-14-5-8-20(30)23-26-28-29-27-23/h4-8,10-14H,2-3,9,15H2,1H3,(H,32,33)(H,26,27,28,29)
InChIKeyACUBPBCHAVPOHH-UHFFFAOYSA-N
XLogP4.10
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid (CID 15224471) is 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid is CCCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2cccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid?
The InChIKey is ACUBPBCHAVPOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-2-3-9-21-25-19-7-4-6-18(24(32)33)22(19)31(21)15-16-10-12-17(13-11-16)30-14-5-8-20(30)23-26-28-29-27-23/h4-8,10-14H,2-3,9,15H2,1H3,(H,32,33)(H,26,27,28,29).
What are the key properties of 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid?
2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid has a molecular weight of 441.50 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 15224471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).