2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole

C14H19ClN2O — CID 113393090

IUPAC2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole
SMILESCCCn1c(CCCl)nc2c(OCC)cccc21
InChIInChI=1S/C14H19ClN2O/c1-3-10-17-11-6-5-7-12(18-4-2)14(11)16-13(17)8-9-15/h5-7H,3-4,8-10H2,1-2H3
InChIKeyFYEKGIKWVKKOBO-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.63
Rot. Bonds6

About 2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole

2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole (PubChem CID 113393090) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole
PubChem CID113393090
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole
SMILESCCCn1c(CCCl)nc2c(OCC)cccc21
InChIInChI=1S/C14H19ClN2O/c1-3-10-17-11-6-5-7-12(18-4-2)14(11)16-13(17)8-9-15/h5-7H,3-4,8-10H2,1-2H3
InChIKeyFYEKGIKWVKKOBO-UHFFFAOYSA-N
XLogP3.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.63
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-(1-methylcyclopropyl)benzimidazole
CID 113485688
2-(chloromethyl)-4-ethoxy-1-(3-methylsulfanylpropyl)benzimidazole
CID 113393135
5-[2-[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407105
2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide
CID 106240573
2-[[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375657
4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
CID 104837381
2-(1-chloroethyl)-4-ethoxy-1-(2-methylpropyl)benzimidazole
CID 113393086
2-[2-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide
CID 106240669
4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine
CID 106035762
2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)-4-propoxybenzimidazole
CID 104763429
4-chloro-2-(2-chloroethyl)-1-[2-(3-methylbutoxy)ethyl]benzimidazole
CID 104837980
2-(2-chloroethyl)-1-(3-methoxypropyl)benzimidazole-4-carbonitrile
CID 104719349

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole (CID 113393090) is 2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole is CCCn1c(CCCl)nc2c(OCC)cccc21.
What is the InChIKey of 2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole?
The InChIKey is FYEKGIKWVKKOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-3-10-17-11-6-5-7-12(18-4-2)14(11)16-13(17)8-9-15/h5-7H,3-4,8-10H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole?
2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole has a molecular weight of 266.77 g/mol, XLogP of 3.63, 6 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-propylbenzimidazole is sourced from PubChem (CID 113393090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).