1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-ethoxyphenyl)imidazole

C20H20N2O2 — CID 96575774

IUPAC1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-ethoxyphenyl)imidazole
SMILESCCOc1ccccc1-c1nccn1[C@@H]1COc2ccccc2C1
InChIInChI=1S/C20H20N2O2/c1-2-23-19-10-6-4-8-17(19)20-21-11-12-22(20)16-13-15-7-3-5-9-18(15)24-14-16/h3-12,16H,2,13-14H2,1H3/t16-/m0/s1
InChIKeyRBSIIETWDVQNFK-INIZCTEOSA-N
MW320.39 g/mol
LogP4.12
Rot. Bonds4

About 1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-ethoxyphenyl)imidazole

1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-ethoxyphenyl)imidazole (PubChem CID 96575774) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-ethoxyphenyl)imidazole.

Molecular Properties

Compound Name1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-ethoxyphenyl)imidazole
PubChem CID96575774
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-ethoxyphenyl)imidazole
SMILESCCOc1ccccc1-c1nccn1[C@@H]1COc2ccccc2C1
InChIInChI=1S/C20H20N2O2/c1-2-23-19-10-6-4-8-17(19)20-21-11-12-22(20)16-13-15-7-3-5-9-18(15)24-14-16/h3-12,16H,2,13-14H2,1H3/t16-/m0/s1
InChIKeyRBSIIETWDVQNFK-INIZCTEOSA-N
XLogP4.12
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol
CID 154816099
2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid
CID 154569273
3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone
CID 65407973
1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine
CID 68706500
1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine
CID 163236275
1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane
CID 56859547
4-(2-ethoxyphenyl)pyridine
CID 23466193
1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 25294250
N-ethoxy-3,4-dihydro-2H-chromen-3-amine
CID 126985805
1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol
CID 79446324
2-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]benzoic acid
CID 70758528
1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79752635

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-ethoxyphenyl)imidazole?
The IUPAC name of 1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-ethoxyphenyl)imidazole (CID 96575774) is 1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-ethoxyphenyl)imidazole.
What is the SMILES notation for 1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-ethoxyphenyl)imidazole?
The canonical SMILES for 1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-ethoxyphenyl)imidazole is CCOc1ccccc1-c1nccn1[C@@H]1COc2ccccc2C1.
What is the InChIKey of 1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-ethoxyphenyl)imidazole?
The InChIKey is RBSIIETWDVQNFK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-23-19-10-6-4-8-17(19)20-21-11-12-22(20)16-13-15-7-3-5-9-18(15)24-14-16/h3-12,16H,2,13-14H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-ethoxyphenyl)imidazole?
1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-ethoxyphenyl)imidazole has a molecular weight of 320.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-ethoxyphenyl)imidazole is sourced from PubChem (CID 96575774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).