1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole

C16H20N2O — CID 104771549

IUPAC1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1CC1CCOc2ccccc21
InChIInChI=1S/C16H20N2O/c1-12(2)16-17-8-9-18(16)11-13-7-10-19-15-6-4-3-5-14(13)15/h3-6,8-9,12-13H,7,10-11H2,1-2H3
InChIKeyCIKFNZMJPGMULN-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.57
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole (PubChem CID 104771549) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole
PubChem CID104771549
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1CC1CCOc2ccccc21
InChIInChI=1S/C16H20N2O/c1-12(2)16-17-8-9-18(16)11-13-7-10-19-15-6-4-3-5-14(13)15/h3-6,8-9,12-13H,7,10-11H2,1-2H3
InChIKeyCIKFNZMJPGMULN-UHFFFAOYSA-N
XLogP3.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propylimidazole
CID 104771550
1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde
CID 104769066
N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 104769087
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]ethanamine
CID 104771079
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-methylimidazol-2-yl)ethanol
CID 104770067
1-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 65410669
4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771996
6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrimidin-4-one
CID 114582018
3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone
CID 65406612
N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine
CID 104771756
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine
CID 104768448
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-iodo-1,2,4-triazole
CID 104772475

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole (CID 104771549) is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole is CC(C)c1nccn1CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole?
The InChIKey is CIKFNZMJPGMULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(2)16-17-8-9-18(16)11-13-7-10-19-15-6-4-3-5-14(13)15/h3-6,8-9,12-13H,7,10-11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole?
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole has a molecular weight of 256.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole is sourced from PubChem (CID 104771549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).