1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole

C17H25N3 — CID 81318771

IUPAC1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole
SMILESCCn1c(CCC2CCC(C)CN2)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-3-20-16-7-5-4-6-15(16)19-17(20)11-10-14-9-8-13(2)12-18-14/h4-7,13-14,18H,3,8-12H2,1-2H3
InChIKeyFOLXCTCCQLAFEV-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.38
Rot. Bonds4

About 1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole

1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole (PubChem CID 81318771) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole
PubChem CID81318771
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole
SMILESCCn1c(CCC2CCC(C)CN2)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-3-20-16-7-5-4-6-15(16)19-17(20)11-10-14-9-8-13(2)12-18-14/h4-7,13-14,18H,3,8-12H2,1-2H3
InChIKeyFOLXCTCCQLAFEV-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62218069
2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole
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1-ethyl-2-pentylbenzimidazole
CID 3463966
1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole
CID 106780313
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole
CID 107391401
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411845
5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62218072
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993863
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 79755494
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
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CID 62318122

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole?
The IUPAC name of 1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole (CID 81318771) is 1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole?
The canonical SMILES for 1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole is CCn1c(CCC2CCC(C)CN2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole?
The InChIKey is FOLXCTCCQLAFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-20-16-7-5-4-6-15(16)19-17(20)11-10-14-9-8-13(2)12-18-14/h4-7,13-14,18H,3,8-12H2,1-2H3.
What are the key properties of 1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole?
1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole has a molecular weight of 271.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole is sourced from PubChem (CID 81318771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).