2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5,6-dimethoxybenzimidazole

C16H21ClN2O2 — CID 83003902

IUPAC2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5,6-dimethoxybenzimidazole
SMILESCOc1cc2nc(CCCl)n(CCC3CC3)c2cc1OC
InChIInChI=1S/C16H21ClN2O2/c1-20-14-9-12-13(10-15(14)21-2)19(8-6-11-3-4-11)16(18-12)5-7-17/h9-11H,3-8H2,1-2H3
InChIKeyCGNOTGNMUOBALV-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.63
Rot. Bonds7

About 2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5,6-dimethoxybenzimidazole

2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5,6-dimethoxybenzimidazole (PubChem CID 83003902) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5,6-dimethoxybenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5,6-dimethoxybenzimidazole
PubChem CID83003902
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5,6-dimethoxybenzimidazole
SMILESCOc1cc2nc(CCCl)n(CCC3CC3)c2cc1OC
InChIInChI=1S/C16H21ClN2O2/c1-20-14-9-12-13(10-15(14)21-2)19(8-6-11-3-4-11)16(18-12)5-7-17/h9-11H,3-8H2,1-2H3
InChIKeyCGNOTGNMUOBALV-UHFFFAOYSA-N
XLogP3.63
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.63
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-cyclopropylethyl)-5-fluoro-6-methylbenzimidazole
CID 103593824
2-(2-chloroethyl)-3-(2-cyclopropylethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 113286951
2-[2-(2-chloroethyl)-5,6-dimethoxybenzimidazol-1-yl]acetamide
CID 83008544
5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479132
2-(2-chloroethyl)-5,6-dimethoxy-1-(2-methylcyclopropyl)benzimidazole
CID 83008067
2-(2-chloroethyl)-1-(2-cyclohexylethyl)-5-iodobenzimidazole
CID 66080253
2-(2-chloroethyl)-5,6-dimethoxy-1-(3-methylbutan-2-yl)benzimidazole
CID 83003668
6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
CID 65344662
2-(chloromethyl)-5,6-dimethoxy-1-(2-methoxyethyl)benzimidazole
CID 83007863
5,6-dichloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479149
2-(chloromethyl)-1-(2-ethoxyethyl)-5,6-dimethoxybenzimidazole
CID 83008681
4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole
CID 104838360

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5,6-dimethoxybenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5,6-dimethoxybenzimidazole (CID 83003902) is 2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5,6-dimethoxybenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5,6-dimethoxybenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5,6-dimethoxybenzimidazole is COc1cc2nc(CCCl)n(CCC3CC3)c2cc1OC.
What is the InChIKey of 2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5,6-dimethoxybenzimidazole?
The InChIKey is CGNOTGNMUOBALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-20-14-9-12-13(10-15(14)21-2)19(8-6-11-3-4-11)16(18-12)5-7-17/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5,6-dimethoxybenzimidazole?
2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5,6-dimethoxybenzimidazole has a molecular weight of 308.81 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5,6-dimethoxybenzimidazole is sourced from PubChem (CID 83003902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).