methyl 4-[[2-chloro-5-(2H-tetrazol-5-ylcarbamoyl)imidazol-1-yl]methyl]benzoate

C14H12ClN7O3 — CID 139628268

IUPACmethyl 4-[[2-chloro-5-(2H-tetrazol-5-ylcarbamoyl)imidazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2c(C(=O)Nc3nn[nH]n3)cnc2Cl)cc1
InChIInChI=1S/C14H12ClN7O3/c1-25-12(24)9-4-2-8(3-5-9)7-22-10(6-16-13(22)15)11(23)17-14-18-20-21-19-14/h2-6H,7H2,1H3,(H2,17,18,19,20,21,23)
InChIKeyHRHZJLQWLPQLJX-UHFFFAOYSA-N
MW361.75 g/mol
LogP1.14
Rot. Bonds5

About methyl 4-[[2-chloro-5-(2H-tetrazol-5-ylcarbamoyl)imidazol-1-yl]methyl]benzoate

methyl 4-[[2-chloro-5-(2H-tetrazol-5-ylcarbamoyl)imidazol-1-yl]methyl]benzoate (PubChem CID 139628268) has the molecular formula C14H12ClN7O3 and a molecular weight of 361.75 g/mol. Its IUPAC name is methyl 4-[[2-chloro-5-(2H-tetrazol-5-ylcarbamoyl)imidazol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-chloro-5-(2H-tetrazol-5-ylcarbamoyl)imidazol-1-yl]methyl]benzoate
PubChem CID139628268
Molecular FormulaC14H12ClN7O3
Molecular Weight361.75 g/mol
Exact Mass361.07
IUPAC Namemethyl 4-[[2-chloro-5-(2H-tetrazol-5-ylcarbamoyl)imidazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2c(C(=O)Nc3nn[nH]n3)cnc2Cl)cc1
InChIInChI=1S/C14H12ClN7O3/c1-25-12(24)9-4-2-8(3-5-9)7-22-10(6-16-13(22)15)11(23)17-14-18-20-21-19-14/h2-6H,7H2,1H3,(H2,17,18,19,20,21,23)
InChIKeyHRHZJLQWLPQLJX-UHFFFAOYSA-N
XLogP1.14
TPSA127.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[2-chloro-5-(2H-tetrazol-5-ylcarbamoyl)imidazol-1-yl]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[3-[2-chloro-3-[(4-methylphenyl)methyl]imidazol-4-yl]-3-oxopropyl]benzoate
CID 162001686
methyl 4-[[5-[benzyl(2H-tetrazol-5-yl)carbamoyl]-2-butylimidazol-1-yl]methyl]benzoate
CID 15231685
methyl 4-[[2-butyl-5-[(2-methylphenyl)methyl-(2H-tetrazol-5-yl)carbamoyl]imidazol-1-yl]methyl]benzoate
CID 139628193
methyl 2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 174350917
4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 11168984
4-[[5,6-dichloro-3-methyl-2-(4-phenylmethoxyphenyl)iminobenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 58875277
methyl 4-[[2-butyl-5-[2H-tetrazol-5-yl-[(5-thiophen-2-ylthiophen-2-yl)methyl]carbamoyl]imidazol-1-yl]methyl]benzoate
CID 139628176
methyl 2-bromo-3-[(4-methylphenyl)methyl]imidazole-4-carboxylate
CID 121323995
4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide
CID 52885534
4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride
CID 22501762
methyl 4-(1,2,4-triazol-4-ylmethyl)benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-chloro-5-(2H-tetrazol-5-ylcarbamoyl)imidazol-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[2-chloro-5-(2H-tetrazol-5-ylcarbamoyl)imidazol-1-yl]methyl]benzoate (CID 139628268) is methyl 4-[[2-chloro-5-(2H-tetrazol-5-ylcarbamoyl)imidazol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[2-chloro-5-(2H-tetrazol-5-ylcarbamoyl)imidazol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[2-chloro-5-(2H-tetrazol-5-ylcarbamoyl)imidazol-1-yl]methyl]benzoate is COC(=O)c1ccc(Cn2c(C(=O)Nc3nn[nH]n3)cnc2Cl)cc1.
What is the InChIKey of methyl 4-[[2-chloro-5-(2H-tetrazol-5-ylcarbamoyl)imidazol-1-yl]methyl]benzoate?
The InChIKey is HRHZJLQWLPQLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN7O3/c1-25-12(24)9-4-2-8(3-5-9)7-22-10(6-16-13(22)15)11(23)17-14-18-20-21-19-14/h2-6H,7H2,1H3,(H2,17,18,19,20,21,23).
What are the key properties of methyl 4-[[2-chloro-5-(2H-tetrazol-5-ylcarbamoyl)imidazol-1-yl]methyl]benzoate?
methyl 4-[[2-chloro-5-(2H-tetrazol-5-ylcarbamoyl)imidazol-1-yl]methyl]benzoate has a molecular weight of 361.75 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-chloro-5-(2H-tetrazol-5-ylcarbamoyl)imidazol-1-yl]methyl]benzoate is sourced from PubChem (CID 139628268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).