[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone

C20H25ClFN3O — CID 72861491

IUPAC[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone
SMILESCCCCn1ccnc1C1CCCN(C(=O)c2c(F)ccc(C)c2Cl)C1
InChIInChI=1S/C20H25ClFN3O/c1-3-4-10-24-12-9-23-19(24)15-6-5-11-25(13-15)20(26)17-16(22)8-7-14(2)18(17)21/h7-9,12,15H,3-6,10-11,13H2,1-2H3
InChIKeyNLKWFIDCGBCCMW-UHFFFAOYSA-N
MW377.89 g/mol
LogP4.80
Rot. Bonds5

About [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone

[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone (PubChem CID 72861491) has the molecular formula C20H25ClFN3O and a molecular weight of 377.89 g/mol. Its IUPAC name is [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone
PubChem CID72861491
Molecular FormulaC20H25ClFN3O
Molecular Weight377.89 g/mol
Exact Mass377.17
IUPAC Name[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone
SMILESCCCCn1ccnc1C1CCCN(C(=O)c2c(F)ccc(C)c2Cl)C1
InChIInChI=1S/C20H25ClFN3O/c1-3-4-10-24-12-9-23-19(24)15-6-5-11-25(13-15)20(26)17-16(22)8-7-14(2)18(17)21/h7-9,12,15H,3-6,10-11,13H2,1-2H3
InChIKeyNLKWFIDCGBCCMW-UHFFFAOYSA-N
XLogP4.80
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 72867437
3-[3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-ethyl-4,6-dimethylpyridin-2-one
CID 72897576
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone
CID 97200368
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 97285988
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 97275870
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(2-chloro-4,5-difluorophenyl)ethanone
CID 97285756
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 97278309
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 72930897
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 97191139
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
CID 97195616
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 97187284
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97200492

Frequently Asked Questions

What is the IUPAC name of [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone?
The IUPAC name of [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone (CID 72861491) is [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone?
The canonical SMILES for [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone is CCCCn1ccnc1C1CCCN(C(=O)c2c(F)ccc(C)c2Cl)C1.
What is the InChIKey of [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone?
The InChIKey is NLKWFIDCGBCCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFN3O/c1-3-4-10-24-12-9-23-19(24)15-6-5-11-25(13-15)20(26)17-16(22)8-7-14(2)18(17)21/h7-9,12,15H,3-6,10-11,13H2,1-2H3.
What are the key properties of [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone?
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone has a molecular weight of 377.89 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 72861491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).