[5-bromo-2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazol-4-yl]methylphosphonic acid

C24H25BrN7O3P — CID 19764505

IUPAC[5-bromo-2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazol-4-yl]methylphosphonic acid
SMILESCCCCc1nc(Br)c(CP(=O)(O)O)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C24H25BrN7O3P/c1-2-3-11-22-26-23(25)21(15-36(33,34)35)32(22)14-16-7-6-10-19-17(16)12-13-31(19)20-9-5-4-8-18(20)24-27-29-30-28-24/h4-10,12-13H,2-3,11,14-15H2,1H3,(H2,33,34,35)(H,27,28,29,30)
InChIKeyRJHKYJIEXCHJOO-UHFFFAOYSA-N
MW570.39 g/mol
LogP4.84
Rot. Bonds9

About [5-bromo-2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazol-4-yl]methylphosphonic acid

[5-bromo-2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazol-4-yl]methylphosphonic acid (PubChem CID 19764505) has the molecular formula C24H25BrN7O3P and a molecular weight of 570.39 g/mol. Its IUPAC name is [5-bromo-2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazol-4-yl]methylphosphonic acid.

Molecular Properties

Compound Name[5-bromo-2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazol-4-yl]methylphosphonic acid
PubChem CID19764505
Molecular FormulaC24H25BrN7O3P
Molecular Weight570.39 g/mol
Exact Mass569.09
IUPAC Name[5-bromo-2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazol-4-yl]methylphosphonic acid
SMILESCCCCc1nc(Br)c(CP(=O)(O)O)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C24H25BrN7O3P/c1-2-3-11-22-26-23(25)21(15-36(33,34)35)32(22)14-16-7-6-10-19-17(16)12-13-31(19)20-9-5-4-8-18(20)24-27-29-30-28-24/h4-10,12-13H,2-3,11,14-15H2,1H3,(H2,33,34,35)(H,27,28,29,30)
InChIKeyRJHKYJIEXCHJOO-UHFFFAOYSA-N
XLogP4.84
TPSA134.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.39
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [5-bromo-2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazol-4-yl]methylphosphonic acid 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

ethyl 2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate
CID 11577472
2-hexyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
CID 71558473
dilithium bis(2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]imidazole-4-carboxylate)
CID 139605907
2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid
CID 18950373
2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-5-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
CID 71558320
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 3961
2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
CID 67882947
2-butyl-4-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 54252997
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
5-[2-[4-[(2,5-dibutyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;ethane
CID 145006110
5-butyl-2-(naphthalen-1-ylmethyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
CID 14956802
2-[[3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 67880873

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazol-4-yl]methylphosphonic acid?
The IUPAC name of [5-bromo-2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazol-4-yl]methylphosphonic acid (CID 19764505) is [5-bromo-2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazol-4-yl]methylphosphonic acid.
What is the SMILES notation for [5-bromo-2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazol-4-yl]methylphosphonic acid?
The canonical SMILES for [5-bromo-2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazol-4-yl]methylphosphonic acid is CCCCc1nc(Br)c(CP(=O)(O)O)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[nH]n1.
What is the InChIKey of [5-bromo-2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazol-4-yl]methylphosphonic acid?
The InChIKey is RJHKYJIEXCHJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN7O3P/c1-2-3-11-22-26-23(25)21(15-36(33,34)35)32(22)14-16-7-6-10-19-17(16)12-13-31(19)20-9-5-4-8-18(20)24-27-29-30-28-24/h4-10,12-13H,2-3,11,14-15H2,1H3,(H2,33,34,35)(H,27,28,29,30).
What are the key properties of [5-bromo-2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazol-4-yl]methylphosphonic acid?
[5-bromo-2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazol-4-yl]methylphosphonic acid has a molecular weight of 570.39 g/mol, XLogP of 4.84, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazol-4-yl]methylphosphonic acid is sourced from PubChem (CID 19764505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).