(8aR)-1-[2-(3,4-dichlorophenyl)ethyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine

C15H20Cl2N2 — CID 22878400

IUPAC(8aR)-1-[2-(3,4-dichlorophenyl)ethyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
SMILESClc1ccc(CCN2CCN3CCCC[C@H]32)cc1Cl
InChIInChI=1S/C15H20Cl2N2/c16-13-5-4-12(11-14(13)17)6-8-19-10-9-18-7-2-1-3-15(18)19/h4-5,11,15H,1-3,6-10H2/t15-/m1/s1
InChIKeyXLQFAWRWSVNDFI-OAHLLOKOSA-N
MW299.24 g/mol
LogP3.66
Rot. Bonds3

About (8aR)-1-[2-(3,4-dichlorophenyl)ethyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine

(8aR)-1-[2-(3,4-dichlorophenyl)ethyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine (PubChem CID 22878400) has the molecular formula C15H20Cl2N2 and a molecular weight of 299.24 g/mol. Its IUPAC name is (8aR)-1-[2-(3,4-dichlorophenyl)ethyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name(8aR)-1-[2-(3,4-dichlorophenyl)ethyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
PubChem CID22878400
Molecular FormulaC15H20Cl2N2
Molecular Weight299.24 g/mol
Exact Mass298.10
IUPAC Name(8aR)-1-[2-(3,4-dichlorophenyl)ethyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
SMILESClc1ccc(CCN2CCN3CCCC[C@H]32)cc1Cl
InChIInChI=1S/C15H20Cl2N2/c16-13-5-4-12(11-14(13)17)6-8-19-10-9-18-7-2-1-3-15(18)19/h4-5,11,15H,1-3,6-10H2/t15-/m1/s1
InChIKeyXLQFAWRWSVNDFI-OAHLLOKOSA-N
XLogP3.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-(3,4-dichlorophenyl)ethyl]-N-ethyl-2-pyrrolidin-1-ylcyclohexan-1-amine
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5-[2-(3,4-dichlorophenyl)ethyl]-6,6a,7,8,9,11-hexahydropyrrolo[2,1-c][1,4]benzodiazepine
CID 551028
2-(3,4-dichlorophenyl)-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]ethanamine
CID 129365039
2-(3,4-dichlorophenyl)-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide
CID 18930457
(2S)-1-[(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 51441049
2-(3,4-dichlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929688
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CID 139709502
1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine
CID 594236
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CID 79925920
N-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
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Frequently Asked Questions

What is the IUPAC name of (8aR)-1-[2-(3,4-dichlorophenyl)ethyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The IUPAC name of (8aR)-1-[2-(3,4-dichlorophenyl)ethyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine (CID 22878400) is (8aR)-1-[2-(3,4-dichlorophenyl)ethyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine.
What is the SMILES notation for (8aR)-1-[2-(3,4-dichlorophenyl)ethyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The canonical SMILES for (8aR)-1-[2-(3,4-dichlorophenyl)ethyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine is Clc1ccc(CCN2CCN3CCCC[C@H]32)cc1Cl.
What is the InChIKey of (8aR)-1-[2-(3,4-dichlorophenyl)ethyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The InChIKey is XLQFAWRWSVNDFI-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20Cl2N2/c16-13-5-4-12(11-14(13)17)6-8-19-10-9-18-7-2-1-3-15(18)19/h4-5,11,15H,1-3,6-10H2/t15-/m1/s1.
What are the key properties of (8aR)-1-[2-(3,4-dichlorophenyl)ethyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
(8aR)-1-[2-(3,4-dichlorophenyl)ethyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine has a molecular weight of 299.24 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-1-[2-(3,4-dichlorophenyl)ethyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine is sourced from PubChem (CID 22878400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).