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

C24H20Cl2N8O2 — CID 11306983

IUPAC4-[[2-(3,5-dichlorophenyl)imino-6-methoxy-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCOc1ccc2c(c1)n(Cc1ccc(C(=O)Nc3nn[nH]n3)cc1)/c(=N/c1cc(Cl)cc(Cl)c1)n2C
InChIInChI=1S/C24H20Cl2N8O2/c1-33-20-8-7-19(36-2)12-21(20)34(24(33)27-18-10-16(25)9-17(26)11-18)13-14-3-5-15(6-4-14)22(35)28-23-29-31-32-30-23/h3-12H,13H2,1-2H3,(H2,28,29,30,31,32,35)/b27-24+
InChIKeyNVIFIVUISGSDSQ-SOYKGTTHSA-N
MW523.38 g/mol
LogP4.34
Rot. Bonds6

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

4-[[2-(3,5-dichlorophenyl)imino-6-methoxy-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 11306983) has the molecular formula C24H20Cl2N8O2 and a molecular weight of 523.38 g/mol. Its IUPAC name is 4-[[2-(3,5-dichlorophenyl)imino-6-methoxy-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[[2-(3,5-dichlorophenyl)imino-6-methoxy-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID11306983
Molecular FormulaC24H20Cl2N8O2
Molecular Weight523.38 g/mol
Exact Mass522.11
IUPAC Name4-[[2-(3,5-dichlorophenyl)imino-6-methoxy-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCOc1ccc2c(c1)n(Cc1ccc(C(=O)Nc3nn[nH]n3)cc1)/c(=N/c1cc(Cl)cc(Cl)c1)n2C
InChIInChI=1S/C24H20Cl2N8O2/c1-33-20-8-7-19(36-2)12-21(20)34(24(33)27-18-10-16(25)9-17(26)11-18)13-14-3-5-15(6-4-14)22(35)28-23-29-31-32-30-23/h3-12H,13H2,1-2H3,(H2,28,29,30,31,32,35)/b27-24+
InChIKeyNVIFIVUISGSDSQ-SOYKGTTHSA-N
XLogP4.34
TPSA115.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.38
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[5,6-dichloro-3-methyl-2-(4-phenylmethoxyphenyl)iminobenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 58875277
4-[[2-(4-tert-butylphenyl)imino-3-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 11238141
4-[[2-(4-tert-butylphenyl)imino-3-methyl-4-propoxy-6-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 11444850
methyl 4-[[5,6-dichloro-2-(4-methoxyphenyl)imino-3-methylbenzimidazol-1-yl]methyl]benzoate
CID 69418089
6-methoxy-4-methyl-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
CID 21491304
methyl 4-[[2-chloro-5-(2H-tetrazol-5-ylcarbamoyl)imidazol-1-yl]methyl]benzoate
CID 139628268
4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide
CID 52885534
[4-[[2-[4-(1-adamantyl)phenyl]imino-6-methoxy-3-methylbenzimidazol-1-yl]methyl]phenyl]methanol
CID 71158314
4-[[(4-tert-butylcyclohexyl)-(5-ethoxy-1-methylbenzimidazol-2-yl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 44561439
N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417136
4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide
CID 5192520
6-(4-chlorophenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 12784865

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,5-dichlorophenyl)imino-6-methoxy-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-[[2-(3,5-dichlorophenyl)imino-6-methoxy-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide (CID 11306983) is 4-[[2-(3,5-dichlorophenyl)imino-6-methoxy-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-[[2-(3,5-dichlorophenyl)imino-6-methoxy-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-[[2-(3,5-dichlorophenyl)imino-6-methoxy-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide is COc1ccc2c(c1)n(Cc1ccc(C(=O)Nc3nn[nH]n3)cc1)/c(=N/c1cc(Cl)cc(Cl)c1)n2C.
What is the InChIKey of 4-[[2-(3,5-dichlorophenyl)imino-6-methoxy-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is NVIFIVUISGSDSQ-SOYKGTTHSA-N. The full InChI is InChI=1S/C24H20Cl2N8O2/c1-33-20-8-7-19(36-2)12-21(20)34(24(33)27-18-10-16(25)9-17(26)11-18)13-14-3-5-15(6-4-14)22(35)28-23-29-31-32-30-23/h3-12H,13H2,1-2H3,(H2,28,29,30,31,32,35)/b27-24+.
What are the key properties of 4-[[2-(3,5-dichlorophenyl)imino-6-methoxy-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide?
4-[[2-(3,5-dichlorophenyl)imino-6-methoxy-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 523.38 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,5-dichlorophenyl)imino-6-methoxy-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 11306983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).