butane;6-[(2Z,4Z)-2-(3-chlorophenyl)hepta-2,4-dien-3-yl]-1,8a-dihydroimidazo[1,2-a]pyridine

C24H31ClN2 — CID 144602273

IUPACbutane;6-[(2Z,4Z)-2-(3-chlorophenyl)hepta-2,4-dien-3-yl]-1,8a-dihydroimidazo[1,2-a]pyridine
SMILESCC/C=C\C(C1=CN2C=CNC2C=C1)=C(/C)c1cccc(Cl)c1.CCCC
InChIInChI=1S/C20H21ClN2.C4H10/c1-3-4-8-19(15(2)16-6-5-7-18(21)13-16)17-9-10-20-22-11-12-23(20)14-17;1-3-4-2/h4-14,20,22H,3H2,1-2H3;3-4H2,1-2H3/b8-4-,19-15-;
InChIKeyQGTLLQQPMQRNBZ-WAUKJKKTSA-N
MW382.98 g/mol
LogP7.04
Rot. Bonds5

About butane;6-[(2Z,4Z)-2-(3-chlorophenyl)hepta-2,4-dien-3-yl]-1,8a-dihydroimidazo[1,2-a]pyridine

butane;6-[(2Z,4Z)-2-(3-chlorophenyl)hepta-2,4-dien-3-yl]-1,8a-dihydroimidazo[1,2-a]pyridine (PubChem CID 144602273) has the molecular formula C24H31ClN2 and a molecular weight of 382.98 g/mol. Its IUPAC name is butane;6-[(2Z,4Z)-2-(3-chlorophenyl)hepta-2,4-dien-3-yl]-1,8a-dihydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Namebutane;6-[(2Z,4Z)-2-(3-chlorophenyl)hepta-2,4-dien-3-yl]-1,8a-dihydroimidazo[1,2-a]pyridine
PubChem CID144602273
Molecular FormulaC24H31ClN2
Molecular Weight382.98 g/mol
Exact Mass382.22
IUPAC Namebutane;6-[(2Z,4Z)-2-(3-chlorophenyl)hepta-2,4-dien-3-yl]-1,8a-dihydroimidazo[1,2-a]pyridine
SMILESCC/C=C\C(C1=CN2C=CNC2C=C1)=C(/C)c1cccc(Cl)c1.CCCC
InChIInChI=1S/C20H21ClN2.C4H10/c1-3-4-8-19(15(2)16-6-5-7-18(21)13-16)17-9-10-20-22-11-12-23(20)14-17;1-3-4-2/h4-14,20,22H,3H2,1-2H3;3-4H2,1-2H3/b8-4-,19-15-;
InChIKeyQGTLLQQPMQRNBZ-WAUKJKKTSA-N
XLogP7.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.98
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

butane;5-[(2Z,4Z)-2-(3-chlorophenyl)hepta-2,4-dien-3-yl]-2-methyl-N-[(Z)-prop-1-enyl]aniline
CID 144602314
1-(3-chlorophenyl)ethanethione
CID 89040141
(1E,3Z,4Z)-3-[1-(3-chlorophenyl)ethylidene]-N-ethenyl-N-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]hepta-1,4-dien-1-amine;ethane
CID 144602276
butane;1,3-dichlorobenzene
CID 174455068
1-(5-bromo-4-phenylhexa-2,4-dienyl)-3-chlorobenzene
CID 130300304
1-[(E)-but-2-en-2-yl]-3-chlorobenzene
CID 20717800
ethane;3-[(2Z,4Z)-2-(3-ethylphenyl)hepta-2,4-dien-3-yl]-7-azabicyclo[4.2.0]octa-1(6),2,4-triene
CID 144602137
1-(2-acetylphenyl)-2-(3-chlorophenyl)ethane-1,2-dione
CID 141466088
[(3-chlorophenyl)-(methylamino)methylidene]-methylazanium
CID 7072253
1-chloro-3-[(2E)-4-methylpenta-2,4-dien-2-yl]benzene
CID 143764224
2-(3-chlorophenyl)-2-methoxyiminoethanol
CID 54343986
1-(3-chlorophenyl)-2-hydroxypentan-1-one
CID 67470935

Frequently Asked Questions

What is the IUPAC name of butane;6-[(2Z,4Z)-2-(3-chlorophenyl)hepta-2,4-dien-3-yl]-1,8a-dihydroimidazo[1,2-a]pyridine?
The IUPAC name of butane;6-[(2Z,4Z)-2-(3-chlorophenyl)hepta-2,4-dien-3-yl]-1,8a-dihydroimidazo[1,2-a]pyridine (CID 144602273) is butane;6-[(2Z,4Z)-2-(3-chlorophenyl)hepta-2,4-dien-3-yl]-1,8a-dihydroimidazo[1,2-a]pyridine.
What is the SMILES notation for butane;6-[(2Z,4Z)-2-(3-chlorophenyl)hepta-2,4-dien-3-yl]-1,8a-dihydroimidazo[1,2-a]pyridine?
The canonical SMILES for butane;6-[(2Z,4Z)-2-(3-chlorophenyl)hepta-2,4-dien-3-yl]-1,8a-dihydroimidazo[1,2-a]pyridine is CC/C=C\C(C1=CN2C=CNC2C=C1)=C(/C)c1cccc(Cl)c1.CCCC.
What is the InChIKey of butane;6-[(2Z,4Z)-2-(3-chlorophenyl)hepta-2,4-dien-3-yl]-1,8a-dihydroimidazo[1,2-a]pyridine?
The InChIKey is QGTLLQQPMQRNBZ-WAUKJKKTSA-N. The full InChI is InChI=1S/C20H21ClN2.C4H10/c1-3-4-8-19(15(2)16-6-5-7-18(21)13-16)17-9-10-20-22-11-12-23(20)14-17;1-3-4-2/h4-14,20,22H,3H2,1-2H3;3-4H2,1-2H3/b8-4-,19-15-;.
What are the key properties of butane;6-[(2Z,4Z)-2-(3-chlorophenyl)hepta-2,4-dien-3-yl]-1,8a-dihydroimidazo[1,2-a]pyridine?
butane;6-[(2Z,4Z)-2-(3-chlorophenyl)hepta-2,4-dien-3-yl]-1,8a-dihydroimidazo[1,2-a]pyridine has a molecular weight of 382.98 g/mol, XLogP of 7.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;6-[(2Z,4Z)-2-(3-chlorophenyl)hepta-2,4-dien-3-yl]-1,8a-dihydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 144602273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).