2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole

C15H22N2O2 — CID 103184188

IUPAC2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole
SMILESCCc1nc2ccccc2n1CCOCCCOC
InChIInChI=1S/C15H22N2O2/c1-3-15-16-13-7-4-5-8-14(13)17(15)9-12-19-11-6-10-18-2/h4-5,7-8H,3,6,9-12H2,1-2H3
InChIKeyPNSKTJRLYYKKDU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.65
Rot. Bonds8

About 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole

2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole (PubChem CID 103184188) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole
PubChem CID103184188
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole
SMILESCCc1nc2ccccc2n1CCOCCCOC
InChIInChI=1S/C15H22N2O2/c1-3-15-16-13-7-4-5-8-14(13)17(15)9-12-19-11-6-10-18-2/h4-5,7-8H,3,6,9-12H2,1-2H3
InChIKeyPNSKTJRLYYKKDU-UHFFFAOYSA-N
XLogP2.65
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole
CID 63664998
3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2947583
N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine
CID 63107484
2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole
CID 122190742
2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 115571125
2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996440
1-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996191
2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole
CID 122190781
1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine
CID 62389880

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole?
The IUPAC name of 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole (CID 103184188) is 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole?
The canonical SMILES for 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole is CCc1nc2ccccc2n1CCOCCCOC.
What is the InChIKey of 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole?
The InChIKey is PNSKTJRLYYKKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-15-16-13-7-4-5-8-14(13)17(15)9-12-19-11-6-10-18-2/h4-5,7-8H,3,6,9-12H2,1-2H3.
What are the key properties of 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole?
2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole has a molecular weight of 262.35 g/mol, XLogP of 2.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole is sourced from PubChem (CID 103184188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).