1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole

C16H23N3O — CID 62689788

IUPAC1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole
SMILESCOCCn1c(CC2CCCNC2)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-20-10-9-19-15-7-3-2-6-14(15)18-16(19)11-13-5-4-8-17-12-13/h2-3,6-7,13,17H,4-5,8-12H2,1H3
InChIKeyGCCGINYSQVEDHS-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.22
Rot. Bonds5

About 1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole

1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole (PubChem CID 62689788) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole
PubChem CID62689788
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole
SMILESCOCCn1c(CC2CCCNC2)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-20-10-9-19-15-7-3-2-6-14(15)18-16(19)11-13-5-4-8-17-12-13/h2-3,6-7,13,17H,4-5,8-12H2,1H3
InChIKeyGCCGINYSQVEDHS-UHFFFAOYSA-N
XLogP2.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163871
1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole
CID 62389696
1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689106
2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 63106528
2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole
CID 62823945
N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine
CID 82311900
6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole
CID 62689624
1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689623
2-[1-(2-methoxyethyl)benzimidazol-2-yl]morpholine;dihydrochloride
CID 170916966
2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-3-ylpropyl)benzimidazole
CID 10601376
2-[(3-bromocycloheptyl)methyl]-1-propylbenzimidazole
CID 79757622
2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole
CID 81050071

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole?
The IUPAC name of 1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole (CID 62689788) is 1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole?
The canonical SMILES for 1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole is COCCn1c(CC2CCCNC2)nc2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole?
The InChIKey is GCCGINYSQVEDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-20-10-9-19-15-7-3-2-6-14(15)18-16(19)11-13-5-4-8-17-12-13/h2-3,6-7,13,17H,4-5,8-12H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole?
1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole has a molecular weight of 273.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 62689788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).