1-(3,4-dihydro-2H-chromen-4-yl)-5-pyrrolidin-3-ylimidazole

C16H19N3O — CID 114720100

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-5-pyrrolidin-3-ylimidazole
SMILESc1ccc2c(c1)OCCC2n1cncc1C1CCNC1
InChIInChI=1S/C16H19N3O/c1-2-4-16-13(3-1)14(6-8-20-16)19-11-18-10-15(19)12-5-7-17-9-12/h1-4,10-12,14,17H,5-9H2
InChIKeyXVMYBHWECHGQJN-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.33
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-4-yl)-5-pyrrolidin-3-ylimidazole

1-(3,4-dihydro-2H-chromen-4-yl)-5-pyrrolidin-3-ylimidazole (PubChem CID 114720100) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-5-pyrrolidin-3-ylimidazole
PubChem CID114720100
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-5-pyrrolidin-3-ylimidazole
SMILESc1ccc2c(c1)OCCC2n1cncc1C1CCNC1
InChIInChI=1S/C16H19N3O/c1-2-4-16-13(3-1)14(6-8-20-16)19-11-18-10-15(19)12-5-7-17-9-12/h1-4,10-12,14,17H,5-9H2
InChIKeyXVMYBHWECHGQJN-UHFFFAOYSA-N
XLogP2.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]piperidine
CID 114705795
2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine
CID 114720098
(1R)-1-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine
CID 104942975
1-cycloheptyl-5-pyrrolidin-3-ylimidazole
CID 114717647
4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol
CID 104966852
N-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 66161723
(4aR,11bS)-1,2,3,4,4a,5,6,11b-octahydro-[1]benzoxepino[4,5-c]pyridine
CID 165145899
4-[3-(2,3-dihydro-1H-inden-2-yl)imidazol-4-yl]piperidine
CID 107854524
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968
3-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]piperidine
CID 114705510
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyrrolidin-3-yl-1,3-benzothiazole-6-carboxamide
CID 164875095

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-5-pyrrolidin-3-ylimidazole (CID 114720100) is 1-(3,4-dihydro-2H-chromen-4-yl)-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-5-pyrrolidin-3-ylimidazole is c1ccc2c(c1)OCCC2n1cncc1C1CCNC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-5-pyrrolidin-3-ylimidazole?
The InChIKey is XVMYBHWECHGQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-4-16-13(3-1)14(6-8-20-16)19-11-18-10-15(19)12-5-7-17-9-12/h1-4,10-12,14,17H,5-9H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-5-pyrrolidin-3-ylimidazole?
1-(3,4-dihydro-2H-chromen-4-yl)-5-pyrrolidin-3-ylimidazole has a molecular weight of 269.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114720100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).