2-(2-chloroethyl)-5,6-dimethoxy-1-(2-methylcyclopropyl)benzimidazole

C15H19ClN2O2 — CID 83008067

IUPAC2-(2-chloroethyl)-5,6-dimethoxy-1-(2-methylcyclopropyl)benzimidazole
SMILESCOc1cc2nc(CCCl)n(C3CC3C)c2cc1OC
InChIInChI=1S/C15H19ClN2O2/c1-9-6-11(9)18-12-8-14(20-3)13(19-2)7-10(12)17-15(18)4-5-16/h7-9,11H,4-6H2,1-3H3
InChIKeyROGURTYATQGHDW-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.42
Rot. Bonds5

About 2-(2-chloroethyl)-5,6-dimethoxy-1-(2-methylcyclopropyl)benzimidazole

2-(2-chloroethyl)-5,6-dimethoxy-1-(2-methylcyclopropyl)benzimidazole (PubChem CID 83008067) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5,6-dimethoxy-1-(2-methylcyclopropyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5,6-dimethoxy-1-(2-methylcyclopropyl)benzimidazole
PubChem CID83008067
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-(2-chloroethyl)-5,6-dimethoxy-1-(2-methylcyclopropyl)benzimidazole
SMILESCOc1cc2nc(CCCl)n(C3CC3C)c2cc1OC
InChIInChI=1S/C15H19ClN2O2/c1-9-6-11(9)18-12-8-14(20-3)13(19-2)7-10(12)17-15(18)4-5-16/h7-9,11H,4-6H2,1-3H3
InChIKeyROGURTYATQGHDW-UHFFFAOYSA-N
XLogP3.42
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole
CID 62409588
2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5,6-dimethoxybenzimidazole
CID 83003902
2-(2-chloroethyl)-5,6-dimethoxy-1-(3-methylbutan-2-yl)benzimidazole
CID 83003668
2-[2-(2-chloroethyl)-5,6-dimethoxybenzimidazol-1-yl]acetamide
CID 83008544
2-(2-chloroethyl)-5-iodo-1-(3-methylcyclobutyl)benzimidazole
CID 113467350
2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine
CID 113467325
6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole
CID 65344880
2-(2-chloroethyl)-5-fluoro-1-(2-methyloxolan-3-yl)benzimidazole
CID 82728865
5-bromo-2-(2-chloroethyl)-1-(2-methyloxolan-3-yl)benzimidazole
CID 82728645
5-bromo-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole
CID 43667494
2-(chloromethyl)-5,6-dimethoxy-1-(2-methoxyethyl)benzimidazole
CID 83007863
2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole
CID 113463978

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5,6-dimethoxy-1-(2-methylcyclopropyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-5,6-dimethoxy-1-(2-methylcyclopropyl)benzimidazole (CID 83008067) is 2-(2-chloroethyl)-5,6-dimethoxy-1-(2-methylcyclopropyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-5,6-dimethoxy-1-(2-methylcyclopropyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-5,6-dimethoxy-1-(2-methylcyclopropyl)benzimidazole is COc1cc2nc(CCCl)n(C3CC3C)c2cc1OC.
What is the InChIKey of 2-(2-chloroethyl)-5,6-dimethoxy-1-(2-methylcyclopropyl)benzimidazole?
The InChIKey is ROGURTYATQGHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-9-6-11(9)18-12-8-14(20-3)13(19-2)7-10(12)17-15(18)4-5-16/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 2-(2-chloroethyl)-5,6-dimethoxy-1-(2-methylcyclopropyl)benzimidazole?
2-(2-chloroethyl)-5,6-dimethoxy-1-(2-methylcyclopropyl)benzimidazole has a molecular weight of 294.78 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5,6-dimethoxy-1-(2-methylcyclopropyl)benzimidazole is sourced from PubChem (CID 83008067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).