2-butyl-7-(1-imidazol-1-ylbutoxy)-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole

C33H36N8O — CID 57091929

IUPAC2-butyl-7-(1-imidazol-1-ylbutoxy)-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
SMILESCCCCc1nc2c(C)ccc(OC(CCC)n3ccnc3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C33H36N8O/c1-4-6-12-29-35-31-23(3)13-18-28(42-30(9-5-2)40-20-19-34-22-40)32(31)41(29)21-24-14-16-25(17-15-24)26-10-7-8-11-27(26)33-36-38-39-37-33/h7-8,10-11,13-20,22,30H,4-6,9,12,21H2,1-3H3,(H,36,37,38,39)
InChIKeyBSXCCBBMSRPJMR-UHFFFAOYSA-N
MW560.71 g/mol
LogP7.16
Rot. Bonds12

About 2-butyl-7-(1-imidazol-1-ylbutoxy)-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole

2-butyl-7-(1-imidazol-1-ylbutoxy)-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole (PubChem CID 57091929) has the molecular formula C33H36N8O and a molecular weight of 560.71 g/mol. Its IUPAC name is 2-butyl-7-(1-imidazol-1-ylbutoxy)-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name2-butyl-7-(1-imidazol-1-ylbutoxy)-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
PubChem CID57091929
Molecular FormulaC33H36N8O
Molecular Weight560.71 g/mol
Exact Mass560.30
IUPAC Name2-butyl-7-(1-imidazol-1-ylbutoxy)-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
SMILESCCCCc1nc2c(C)ccc(OC(CCC)n3ccnc3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C33H36N8O/c1-4-6-12-29-35-31-23(3)13-18-28(42-30(9-5-2)40-20-19-34-22-40)32(31)41(29)21-24-14-16-25(17-15-24)26-10-7-8-11-27(26)33-36-38-39-37-33/h7-8,10-11,13-20,22,30H,4-6,9,12,21H2,1-3H3,(H,36,37,38,39)
InChIKeyBSXCCBBMSRPJMR-UHFFFAOYSA-N
XLogP7.16
TPSA99.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.71
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-butyl-7-(1-imidazol-1-ylbutoxy)-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole 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-butyl-7-(5-imidazol-1-ylpentoxy)-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
CID 54306893
2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-ol
CID 15069399
2-butyl-4-methyl-7-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethoxy]-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
CID 54388444
2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19010870
2-butyl-4,7-bis(iodomethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine
CID 20604726
2-butyl-4,7-bis(methylsulfanyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine
CID 67947291
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 15355268
2-[4-[(7-butanoyloxy-2-butyl-4-methylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
CID 15069341
[2-butyl-7-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-4-yl] 2-methylpropanoate
CID 67948931
2-butyl-6,7,8-trimethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 131873108
potassium [2-butyl-5-chloro-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanolate
CID 91993109

Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-(1-imidazol-1-ylbutoxy)-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The IUPAC name of 2-butyl-7-(1-imidazol-1-ylbutoxy)-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole (CID 57091929) is 2-butyl-7-(1-imidazol-1-ylbutoxy)-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole.
What is the SMILES notation for 2-butyl-7-(1-imidazol-1-ylbutoxy)-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The canonical SMILES for 2-butyl-7-(1-imidazol-1-ylbutoxy)-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole is CCCCc1nc2c(C)ccc(OC(CCC)n3ccnc3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-butyl-7-(1-imidazol-1-ylbutoxy)-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The InChIKey is BSXCCBBMSRPJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N8O/c1-4-6-12-29-35-31-23(3)13-18-28(42-30(9-5-2)40-20-19-34-22-40)32(31)41(29)21-24-14-16-25(17-15-24)26-10-7-8-11-27(26)33-36-38-39-37-33/h7-8,10-11,13-20,22,30H,4-6,9,12,21H2,1-3H3,(H,36,37,38,39).
What are the key properties of 2-butyl-7-(1-imidazol-1-ylbutoxy)-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
2-butyl-7-(1-imidazol-1-ylbutoxy)-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole has a molecular weight of 560.71 g/mol, XLogP of 7.16, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-(1-imidazol-1-ylbutoxy)-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole is sourced from PubChem (CID 57091929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).