2-(2-chloroethyl)-4-ethoxy-1-(1-methylcyclopropyl)benzimidazole

C15H19ClN2O — CID 113485688

IUPAC2-(2-chloroethyl)-4-ethoxy-1-(1-methylcyclopropyl)benzimidazole
SMILESCCOc1cccc2c1nc(CCCl)n2C1(C)CC1
InChIInChI=1S/C15H19ClN2O/c1-3-19-12-6-4-5-11-14(12)17-13(7-10-16)18(11)15(2)8-9-15/h4-6H,3,7-10H2,1-2H3
InChIKeyDLNTVTLISULPFX-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.73
Rot. Bonds5

About 2-(2-chloroethyl)-4-ethoxy-1-(1-methylcyclopropyl)benzimidazole

2-(2-chloroethyl)-4-ethoxy-1-(1-methylcyclopropyl)benzimidazole (PubChem CID 113485688) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-(2-chloroethyl)-4-ethoxy-1-(1-methylcyclopropyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-4-ethoxy-1-(1-methylcyclopropyl)benzimidazole
PubChem CID113485688
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-(2-chloroethyl)-4-ethoxy-1-(1-methylcyclopropyl)benzimidazole
SMILESCCOc1cccc2c1nc(CCCl)n2C1(C)CC1
InChIInChI=1S/C15H19ClN2O/c1-3-19-12-6-4-5-11-14(12)17-13(7-10-16)18(11)15(2)8-9-15/h4-6H,3,7-10H2,1-2H3
InChIKeyDLNTVTLISULPFX-UHFFFAOYSA-N
XLogP3.73
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole
CID 113393090
5-[2-[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407105
2-(chloromethyl)-4-ethoxy-1-(3-methylsulfanylpropyl)benzimidazole
CID 113393135
4-chloro-2-(2-chloroethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
CID 106216958
2-[[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375657
2-(1-chloroethyl)-4-ethoxy-1-(2-methylpropyl)benzimidazole
CID 113393086
1,9-diethoxyphenazine
CID 71668489
4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole
CID 104838457
2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide
CID 106240573
2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 115322925
4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 113463958
4-chloro-2-(2-chloroethyl)-1-[(2,2-dimethylcyclopropyl)methyl]benzimidazole
CID 114109116

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-4-ethoxy-1-(1-methylcyclopropyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-4-ethoxy-1-(1-methylcyclopropyl)benzimidazole (CID 113485688) is 2-(2-chloroethyl)-4-ethoxy-1-(1-methylcyclopropyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-4-ethoxy-1-(1-methylcyclopropyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-4-ethoxy-1-(1-methylcyclopropyl)benzimidazole is CCOc1cccc2c1nc(CCCl)n2C1(C)CC1.
What is the InChIKey of 2-(2-chloroethyl)-4-ethoxy-1-(1-methylcyclopropyl)benzimidazole?
The InChIKey is DLNTVTLISULPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-3-19-12-6-4-5-11-14(12)17-13(7-10-16)18(11)15(2)8-9-15/h4-6H,3,7-10H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-4-ethoxy-1-(1-methylcyclopropyl)benzimidazole?
2-(2-chloroethyl)-4-ethoxy-1-(1-methylcyclopropyl)benzimidazole has a molecular weight of 278.78 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-4-ethoxy-1-(1-methylcyclopropyl)benzimidazole is sourced from PubChem (CID 113485688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).