2-(6-chloro-1,3-benzodioxol-5-yl)-6-(tetrazol-1-yl)-1H-benzimidazole

C15H9ClN6O2 — CID 46993165

IUPAC2-(6-chloro-1,3-benzodioxol-5-yl)-6-(tetrazol-1-yl)-1H-benzimidazole
SMILESClc1cc2c(cc1-c1nc3ccc(-n4cnnn4)cc3[nH]1)OCO2
InChIInChI=1S/C15H9ClN6O2/c16-10-5-14-13(23-7-24-14)4-9(10)15-18-11-2-1-8(3-12(11)19-15)22-6-17-20-21-22/h1-6H,7H2,(H,18,19)
InChIKeySCRRFYFTQLTQDO-UHFFFAOYSA-N
MW340.73 g/mol
LogP2.59
Rot. Bonds2

About 2-(6-chloro-1,3-benzodioxol-5-yl)-6-(tetrazol-1-yl)-1H-benzimidazole

2-(6-chloro-1,3-benzodioxol-5-yl)-6-(tetrazol-1-yl)-1H-benzimidazole (PubChem CID 46993165) has the molecular formula C15H9ClN6O2 and a molecular weight of 340.73 g/mol. Its IUPAC name is 2-(6-chloro-1,3-benzodioxol-5-yl)-6-(tetrazol-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(6-chloro-1,3-benzodioxol-5-yl)-6-(tetrazol-1-yl)-1H-benzimidazole
PubChem CID46993165
Molecular FormulaC15H9ClN6O2
Molecular Weight340.73 g/mol
Exact Mass340.05
IUPAC Name2-(6-chloro-1,3-benzodioxol-5-yl)-6-(tetrazol-1-yl)-1H-benzimidazole
SMILESClc1cc2c(cc1-c1nc3ccc(-n4cnnn4)cc3[nH]1)OCO2
InChIInChI=1S/C15H9ClN6O2/c16-10-5-14-13(23-7-24-14)4-9(10)15-18-11-2-1-8(3-12(11)19-15)22-6-17-20-21-22/h1-6H,7H2,(H,18,19)
InChIKeySCRRFYFTQLTQDO-UHFFFAOYSA-N
XLogP2.59
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.73
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]benzoic acid
CID 46986443
2-pentan-3-yl-6-(tetrazol-1-yl)-1H-benzimidazole
CID 56861618
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide
CID 2208803
1-(4-chloro-3-fluorophenyl)tetrazole
CID 91105491
4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline
CID 168555503
[2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343226
N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide
CID 26911241
1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[[4-(tetrazol-1-yl)phenyl]methoxy]indole-2-carboxylic acid
CID 70099792
1,3-benzodioxol-5-ylmethyl 4-(tetrazol-1-yl)benzoate
CID 7500782
2-(2-chlorofuran-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 106688273
6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 64723542

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,3-benzodioxol-5-yl)-6-(tetrazol-1-yl)-1H-benzimidazole?
The IUPAC name of 2-(6-chloro-1,3-benzodioxol-5-yl)-6-(tetrazol-1-yl)-1H-benzimidazole (CID 46993165) is 2-(6-chloro-1,3-benzodioxol-5-yl)-6-(tetrazol-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(6-chloro-1,3-benzodioxol-5-yl)-6-(tetrazol-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-(6-chloro-1,3-benzodioxol-5-yl)-6-(tetrazol-1-yl)-1H-benzimidazole is Clc1cc2c(cc1-c1nc3ccc(-n4cnnn4)cc3[nH]1)OCO2.
What is the InChIKey of 2-(6-chloro-1,3-benzodioxol-5-yl)-6-(tetrazol-1-yl)-1H-benzimidazole?
The InChIKey is SCRRFYFTQLTQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN6O2/c16-10-5-14-13(23-7-24-14)4-9(10)15-18-11-2-1-8(3-12(11)19-15)22-6-17-20-21-22/h1-6H,7H2,(H,18,19).
What are the key properties of 2-(6-chloro-1,3-benzodioxol-5-yl)-6-(tetrazol-1-yl)-1H-benzimidazole?
2-(6-chloro-1,3-benzodioxol-5-yl)-6-(tetrazol-1-yl)-1H-benzimidazole has a molecular weight of 340.73 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1,3-benzodioxol-5-yl)-6-(tetrazol-1-yl)-1H-benzimidazole is sourced from PubChem (CID 46993165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).