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

C24H23N7O2 — CID 15224472

IUPAC2-butyl-3-[[4-[3-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid
SMILESCCCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2ccc(-c3nn[nH]n3)c2)cc1
InChIInChI=1S/C24H23N7O2/c1-2-3-7-21-25-20-6-4-5-19(24(32)33)22(20)31(21)14-16-8-10-18(11-9-16)30-13-12-17(15-30)23-26-28-29-27-23/h4-6,8-13,15H,2-3,7,14H2,1H3,(H,32,33)(H,26,27,28,29)
InChIKeyPDEOEYYCSWKULJ-UHFFFAOYSA-N
MW441.50 g/mol
LogP4.10
Rot. Bonds8

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

2-butyl-3-[[4-[3-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid (PubChem CID 15224472) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 2-butyl-3-[[4-[3-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-butyl-3-[[4-[3-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid
PubChem CID15224472
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name2-butyl-3-[[4-[3-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid
SMILESCCCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2ccc(-c3nn[nH]n3)c2)cc1
InChIInChI=1S/C24H23N7O2/c1-2-3-7-21-25-20-6-4-5-19(24(32)33)22(20)31(21)14-16-8-10-18(11-9-16)30-13-12-17(15-30)23-26-28-29-27-23/h4-6,8-13,15H,2-3,7,14H2,1H3,(H,32,33)(H,26,27,28,29)
InChIKeyPDEOEYYCSWKULJ-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-[3-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid with MolForge

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Related Compounds

methyl 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 14962909
2-[[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 10460419
2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 15355268
pyridin-4-ylmethyl 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 14962932
2-piperidin-1-ylethyl 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 14962935
2-ethoxy-3-[[4-[4-propyl-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 54416253
2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 2541
2-butyl-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-7-carboxylic acid
CID 24886966
2-[2-(3-amino-4-bromophenyl)ethyl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 154969546
5-[1-[4-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrol-3-yl]-2H-tetrazole
CID 19804396
2-butyl-5-(2-oxo-2-piperidin-1-ylethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-4-one
CID 10099064
potassium 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 19742967

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[[4-[3-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 2-butyl-3-[[4-[3-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid (CID 15224472) is 2-butyl-3-[[4-[3-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-butyl-3-[[4-[3-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-butyl-3-[[4-[3-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid is CCCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2ccc(-c3nn[nH]n3)c2)cc1.
What is the InChIKey of 2-butyl-3-[[4-[3-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid?
The InChIKey is PDEOEYYCSWKULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-2-3-7-21-25-20-6-4-5-19(24(32)33)22(20)31(21)14-16-8-10-18(11-9-16)30-13-12-17(15-30)23-26-28-29-27-23/h4-6,8-13,15H,2-3,7,14H2,1H3,(H,32,33)(H,26,27,28,29).
What are the key properties of 2-butyl-3-[[4-[3-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid?
2-butyl-3-[[4-[3-(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-[3-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 15224472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).