1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole

C18H20N2O2 — CID 3507993

IUPAC1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole
SMILESCCOCCn1c(-c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-3-22-13-12-20-17-7-5-4-6-16(17)19-18(20)14-8-10-15(21-2)11-9-14/h4-11H,3,12-13H2,1-2H3
InChIKeyNBCURTAYHLMSQJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.75
Rot. Bonds6

About 1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole

1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole (PubChem CID 3507993) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole
PubChem CID3507993
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole
SMILESCCOCCn1c(-c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-3-22-13-12-20-17-7-5-4-6-16(17)19-18(20)14-8-10-15(21-2)11-9-14/h4-11H,3,12-13H2,1-2H3
InChIKeyNBCURTAYHLMSQJ-UHFFFAOYSA-N
XLogP3.75
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.75
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-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
2-(4-methoxyphenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879179
N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine
CID 21391
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320
1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001345
2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001216
1-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001335
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879176
3-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanethioamide
CID 94756512
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
CID 57458903
2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate
CID 58974418

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole?
The IUPAC name of 1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole (CID 3507993) is 1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole?
The canonical SMILES for 1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole is CCOCCn1c(-c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole?
The InChIKey is NBCURTAYHLMSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-22-13-12-20-17-7-5-4-6-16(17)19-18(20)14-8-10-15(21-2)11-9-14/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole?
1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole has a molecular weight of 296.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole is sourced from PubChem (CID 3507993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).