1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole

C15H21N3 — CID 63133804

IUPAC1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole
SMILESCCn1c(C2(C)CCCNC2)nc2ccccc21
InChIInChI=1S/C15H21N3/c1-3-18-13-8-5-4-7-12(13)17-14(18)15(2)9-6-10-16-11-15/h4-5,7-8,16H,3,6,9-11H2,1-2H3
InChIKeyJMWMWCCFXDHCHY-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.70
Rot. Bonds2

About 1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole

1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole (PubChem CID 63133804) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole
PubChem CID63133804
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole
SMILESCCn1c(C2(C)CCCNC2)nc2ccccc21
InChIInChI=1S/C15H21N3/c1-3-18-13-8-5-4-7-12(13)17-14(18)15(2)9-6-10-16-11-15/h4-5,7-8,16H,3,6,9-11H2,1-2H3
InChIKeyJMWMWCCFXDHCHY-UHFFFAOYSA-N
XLogP2.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
CID 83214231
2-(1-ethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine
CID 82762313
6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole
CID 113316558
1-ethyl-2-[(2-ethylazepan-2-yl)methyl]benzimidazole
CID 79757203
3-ethyl-2-(3-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 55243066
[1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine
CID 106829194
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone
CID 115782680
1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-3-yl)benzimidazole
CID 63134818
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61366163
ethyl 1-(1-ethylbenzimidazol-2-yl)cyclobutane-1-carboxylate
CID 79472376
3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride
CID 119946260
7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole
CID 63133897

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole?
The IUPAC name of 1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole (CID 63133804) is 1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole.
What is the SMILES notation for 1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole?
The canonical SMILES for 1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole is CCn1c(C2(C)CCCNC2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole?
The InChIKey is JMWMWCCFXDHCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-18-13-8-5-4-7-12(13)17-14(18)15(2)9-6-10-16-11-15/h4-5,7-8,16H,3,6,9-11H2,1-2H3.
What are the key properties of 1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole?
1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole has a molecular weight of 243.35 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole is sourced from PubChem (CID 63133804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).