3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine

C18H21N3O — CID 154565849

IUPAC3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine
SMILESCN1CCCC(n2ccnc2C2=Cc3ccccc3OC2)C1
InChIInChI=1S/C18H21N3O/c1-20-9-4-6-16(12-20)21-10-8-19-18(21)15-11-14-5-2-3-7-17(14)22-13-15/h2-3,5,7-8,10-11,16H,4,6,9,12-13H2,1H3
InChIKeyNXSLPDAAOULFAK-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.08
Rot. Bonds2

About 3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine

3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine (PubChem CID 154565849) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine.

Molecular Properties

Compound Name3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine
PubChem CID154565849
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine
SMILESCN1CCCC(n2ccnc2C2=Cc3ccccc3OC2)C1
InChIInChI=1S/C18H21N3O/c1-20-9-4-6-16(12-20)21-10-8-19-18(21)15-11-14-5-2-3-7-17(14)22-13-15/h2-3,5,7-8,10-11,16H,4,6,9,12-13H2,1H3
InChIKeyNXSLPDAAOULFAK-UHFFFAOYSA-N
XLogP3.08
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-methoxyphenyl)imidazol-1-yl]-1-methylpiperidine
CID 154817064
4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole
CID 70774818
1-(1-methylpiperidin-3-yl)imidazole-2-carbonitrile
CID 84732982
4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid
CID 166619622
(2S,4R)-2-ethyl-4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]piperidine;dihydrochloride
CID 154922547
2-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]sulfanylacetic acid
CID 61221455
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95326507
2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36706766
1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine
CID 146043336
ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate
CID 95311873
2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124969421
2-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine
CID 70753087

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine?
The IUPAC name of 3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine (CID 154565849) is 3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine.
What is the SMILES notation for 3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine?
The canonical SMILES for 3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine is CN1CCCC(n2ccnc2C2=Cc3ccccc3OC2)C1.
What is the InChIKey of 3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine?
The InChIKey is NXSLPDAAOULFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-20-9-4-6-16(12-20)21-10-8-19-18(21)15-11-14-5-2-3-7-17(14)22-13-15/h2-3,5,7-8,10-11,16H,4,6,9,12-13H2,1H3.
What are the key properties of 3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine?
3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine has a molecular weight of 295.39 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine is sourced from PubChem (CID 154565849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).