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

C16H20N2O — CID 104771550

IUPAC1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propylimidazole
SMILESCCCc1nccn1CC1CCOc2ccccc21
InChIInChI=1S/C16H20N2O/c1-2-5-16-17-9-10-18(16)12-13-8-11-19-15-7-4-3-6-14(13)15/h3-4,6-7,9-10,13H,2,5,8,11-12H2,1H3
InChIKeyKDGOVHFDTFMAHW-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.40
Rot. Bonds4

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

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propylimidazole (PubChem CID 104771550) 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-propylimidazole.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propylimidazole
PubChem CID104771550
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propylimidazole
SMILESCCCc1nccn1CC1CCOc2ccccc21
InChIInChI=1S/C16H20N2O/c1-2-5-16-17-9-10-18(16)12-13-8-11-19-15-7-4-3-6-14(13)15/h3-4,6-7,9-10,13H,2,5,8,11-12H2,1H3
InChIKeyKDGOVHFDTFMAHW-UHFFFAOYSA-N
XLogP3.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole
CID 104771549
1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde
CID 104769066
N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 79230369
3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone
CID 65406612
1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 115618961
ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate
CID 102604479
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine
CID 124881489
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrimidin-4-one
CID 114582018
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-methylimidazol-2-yl)ethanol
CID 104770067

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propylimidazole?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propylimidazole (CID 104771550) is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propylimidazole.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propylimidazole?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propylimidazole is CCCc1nccn1CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propylimidazole?
The InChIKey is KDGOVHFDTFMAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-5-16-17-9-10-18(16)12-13-8-11-19-15-7-4-3-6-14(13)15/h3-4,6-7,9-10,13H,2,5,8,11-12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propylimidazole?
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propylimidazole has a molecular weight of 256.35 g/mol, XLogP of 3.40, 4 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-propylimidazole is sourced from PubChem (CID 104771550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).