3-benzyl-2-[3-bromo-2-hydroxy-5-(2H-tetrazol-5-yl)phenyl]-1H-indole-5-carboximidamide

C23H18BrN7O — CID 135995982

IUPAC3-benzyl-2-[3-bromo-2-hydroxy-5-(2H-tetrazol-5-yl)phenyl]-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2[nH]c(-c3cc(-c4nn[nH]n4)cc(Br)c3O)c(Cc3ccccc3)c2c1
InChIInChI=1S/C23H18BrN7O/c24-18-11-14(23-28-30-31-29-23)10-17(21(18)32)20-16(8-12-4-2-1-3-5-12)15-9-13(22(25)26)6-7-19(15)27-20/h1-7,9-11,27,32H,8H2,(H3,25,26)(H,28,29,30,31)
InChIKeyCHAKXPPMMOYNDT-UHFFFAOYSA-N
MW488.35 g/mol
LogP4.36
Rot. Bonds5

About 3-benzyl-2-[3-bromo-2-hydroxy-5-(2H-tetrazol-5-yl)phenyl]-1H-indole-5-carboximidamide

3-benzyl-2-[3-bromo-2-hydroxy-5-(2H-tetrazol-5-yl)phenyl]-1H-indole-5-carboximidamide (PubChem CID 135995982) has the molecular formula C23H18BrN7O and a molecular weight of 488.35 g/mol. Its IUPAC name is 3-benzyl-2-[3-bromo-2-hydroxy-5-(2H-tetrazol-5-yl)phenyl]-1H-indole-5-carboximidamide.

Molecular Properties

Compound Name3-benzyl-2-[3-bromo-2-hydroxy-5-(2H-tetrazol-5-yl)phenyl]-1H-indole-5-carboximidamide
PubChem CID135995982
Molecular FormulaC23H18BrN7O
Molecular Weight488.35 g/mol
Exact Mass487.08
IUPAC Name3-benzyl-2-[3-bromo-2-hydroxy-5-(2H-tetrazol-5-yl)phenyl]-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2[nH]c(-c3cc(-c4nn[nH]n4)cc(Br)c3O)c(Cc3ccccc3)c2c1
InChIInChI=1S/C23H18BrN7O/c24-18-11-14(23-28-30-31-29-23)10-17(21(18)32)20-16(8-12-4-2-1-3-5-12)15-9-13(22(25)26)6-7-19(15)27-20/h1-7,9-11,27,32H,8H2,(H3,25,26)(H,28,29,30,31)
InChIKeyCHAKXPPMMOYNDT-UHFFFAOYSA-N
XLogP4.36
TPSA140.35 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.35
LogP ≤ 54.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-benzyl-2-[3-bromo-2-hydroxy-5-(2H-tetrazol-5-yl)phenyl]-1H-indole-5-carboximidamide 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

2,6-dibromo-4-(2H-tetrazol-5-yl)phenol
CID 137032179
2-[3-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]phenoxy]acetamide
CID 10324144
2-(3-benzyl-1H-indol-2-yl)phenol
CID 142650095
2-bromo-4-(2H-tetrazol-5-yl)phenol
CID 135859940
2-[4-[[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenyl]methyl]phenyl]-3H-benzimidazole-5-carboximidamide
CID 10227902
3-(4-aminobutyl)-2-(2-bromophenyl)-1H-indole-5-carboxylic acid
CID 3883431
4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide
CID 142648170
2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide
CID 15435186
3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide
CID 89250354
3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid
CID 53427079
2-[3-[5-(2-amino-2-oxoethyl)-3-bromo-2-hydroxyphenyl]-5-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-hydroxyphenyl]butanedioic acid
CID 135452971
6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol
CID 137215900

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[3-bromo-2-hydroxy-5-(2H-tetrazol-5-yl)phenyl]-1H-indole-5-carboximidamide?
The IUPAC name of 3-benzyl-2-[3-bromo-2-hydroxy-5-(2H-tetrazol-5-yl)phenyl]-1H-indole-5-carboximidamide (CID 135995982) is 3-benzyl-2-[3-bromo-2-hydroxy-5-(2H-tetrazol-5-yl)phenyl]-1H-indole-5-carboximidamide.
What is the SMILES notation for 3-benzyl-2-[3-bromo-2-hydroxy-5-(2H-tetrazol-5-yl)phenyl]-1H-indole-5-carboximidamide?
The canonical SMILES for 3-benzyl-2-[3-bromo-2-hydroxy-5-(2H-tetrazol-5-yl)phenyl]-1H-indole-5-carboximidamide is [H]/N=C(\N)c1ccc2[nH]c(-c3cc(-c4nn[nH]n4)cc(Br)c3O)c(Cc3ccccc3)c2c1.
What is the InChIKey of 3-benzyl-2-[3-bromo-2-hydroxy-5-(2H-tetrazol-5-yl)phenyl]-1H-indole-5-carboximidamide?
The InChIKey is CHAKXPPMMOYNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN7O/c24-18-11-14(23-28-30-31-29-23)10-17(21(18)32)20-16(8-12-4-2-1-3-5-12)15-9-13(22(25)26)6-7-19(15)27-20/h1-7,9-11,27,32H,8H2,(H3,25,26)(H,28,29,30,31).
What are the key properties of 3-benzyl-2-[3-bromo-2-hydroxy-5-(2H-tetrazol-5-yl)phenyl]-1H-indole-5-carboximidamide?
3-benzyl-2-[3-bromo-2-hydroxy-5-(2H-tetrazol-5-yl)phenyl]-1H-indole-5-carboximidamide has a molecular weight of 488.35 g/mol, XLogP of 4.36, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[3-bromo-2-hydroxy-5-(2H-tetrazol-5-yl)phenyl]-1H-indole-5-carboximidamide is sourced from PubChem (CID 135995982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).