1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole

C13H17ClN2O — CID 63664998

IUPAC1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1CCOCCCl
InChIInChI=1S/C13H17ClN2O/c1-2-13-15-11-5-3-4-6-12(11)16(13)8-10-17-9-7-14/h3-6H,2,7-10H2,1H3
InChIKeyWDRKNTCUTHAUPQ-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.85
Rot. Bonds6

About 1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole

1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole (PubChem CID 63664998) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole
PubChem CID63664998
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1CCOCCCl
InChIInChI=1S/C13H17ClN2O/c1-2-13-15-11-5-3-4-6-12(11)16(13)8-10-17-9-7-14/h3-6H,2,7-10H2,1H3
InChIKeyWDRKNTCUTHAUPQ-UHFFFAOYSA-N
XLogP2.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole
CID 103184188
2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 115571125
N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine
CID 63107484
2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole
CID 122190742
1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
2-(chloromethyl)-1-[2-(2,2-difluoroethoxy)ethyl]benzimidazole
CID 114128388
2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996424
2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole
CID 116622472
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 3326466
2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole
CID 70113912
N-ethyl-N-[(2-ethylbenzimidazol-1-yl)methyl]ethanamine
CID 54753686

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole?
The IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole (CID 63664998) is 1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole.
What is the SMILES notation for 1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole?
The canonical SMILES for 1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole is CCc1nc2ccccc2n1CCOCCCl.
What is the InChIKey of 1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole?
The InChIKey is WDRKNTCUTHAUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-2-13-15-11-5-3-4-6-12(11)16(13)8-10-17-9-7-14/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole?
1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole has a molecular weight of 252.74 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole is sourced from PubChem (CID 63664998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).