1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole

C17H25N3O — CID 62389696

IUPAC1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole
SMILESCOCCn1c(CCC2CCNCC2)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-21-13-12-20-16-5-3-2-4-15(16)19-17(20)7-6-14-8-10-18-11-9-14/h2-5,14,18H,6-13H2,1H3
InChIKeyGAGRYCXPXBPFTI-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.61
Rot. Bonds6

About 1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole

1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole (PubChem CID 62389696) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole
PubChem CID62389696
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole
SMILESCOCCn1c(CCC2CCNCC2)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-21-13-12-20-16-5-3-2-4-15(16)19-17(20)7-6-14-8-10-18-11-9-14/h2-5,14,18H,6-13H2,1H3
InChIKeyGAGRYCXPXBPFTI-UHFFFAOYSA-N
XLogP2.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine
CID 62389880
1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689788
1-(piperidin-4-ylmethyl)-2-propylbenzimidazole
CID 82149668
2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole
CID 62823945
1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride
CID 171779762
1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole
CID 107391401
2-(2-methoxyethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117159839
N-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988910
1-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996191
2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62218069
methyl 3-[[1-(4-phenylbutyl)-2-(2-piperidin-4-ylethyl)benzimidazole-5-carbonyl]amino]propanoate
CID 67845765
2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole
CID 103184188

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole?
The IUPAC name of 1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole (CID 62389696) is 1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole.
What is the SMILES notation for 1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole?
The canonical SMILES for 1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole is COCCn1c(CCC2CCNCC2)nc2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole?
The InChIKey is GAGRYCXPXBPFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-21-13-12-20-16-5-3-2-4-15(16)19-17(20)7-6-14-8-10-18-11-9-14/h2-5,14,18H,6-13H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole?
1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole has a molecular weight of 287.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole is sourced from PubChem (CID 62389696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).