4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide

C23H16Cl4N8O — CID 11168984

IUPAC4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCn1/c(=N\c2ccc(Cl)c(Cl)c2)n(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C23H16Cl4N8O/c1-34-19-9-17(26)18(27)10-20(19)35(23(34)28-14-6-7-15(24)16(25)8-14)11-12-2-4-13(5-3-12)21(36)29-22-30-32-33-31-22/h2-10H,11H2,1H3,(H2,29,30,31,32,33,36)/b28-23+
InChIKeyDHNPGTNZSKGXIZ-WEMUOSSPSA-N
MW562.25 g/mol
LogP5.64
Rot. Bonds5

About 4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide

4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 11168984) has the molecular formula C23H16Cl4N8O and a molecular weight of 562.25 g/mol. Its IUPAC name is 4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID11168984
Molecular FormulaC23H16Cl4N8O
Molecular Weight562.25 g/mol
Exact Mass560.02
IUPAC Name4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCn1/c(=N\c2ccc(Cl)c(Cl)c2)n(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C23H16Cl4N8O/c1-34-19-9-17(26)18(27)10-20(19)35(23(34)28-14-6-7-15(24)16(25)8-14)11-12-2-4-13(5-3-12)21(36)29-22-30-32-33-31-22/h2-10H,11H2,1H3,(H2,29,30,31,32,33,36)/b28-23+
InChIKeyDHNPGTNZSKGXIZ-WEMUOSSPSA-N
XLogP5.64
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.25
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide (CID 11168984) is 4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide is Cn1/c(=N\c2ccc(Cl)c(Cl)c2)n(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)c2cc(Cl)c(Cl)cc21.
What is the InChIKey of 4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is DHNPGTNZSKGXIZ-WEMUOSSPSA-N. The full InChI is InChI=1S/C23H16Cl4N8O/c1-34-19-9-17(26)18(27)10-20(19)35(23(34)28-14-6-7-15(24)16(25)8-14)11-12-2-4-13(5-3-12)21(36)29-22-30-32-33-31-22/h2-10H,11H2,1H3,(H2,29,30,31,32,33,36)/b28-23+.
What are the key properties of 4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide?
4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 562.25 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 11168984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).