1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole

C21H22N2O2 — CID 72861996

IUPAC1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole
SMILESCOc1cccc2c1OCC(Cc1ccc(Cn3ccnc3)cc1)C2
InChIInChI=1S/C21H22N2O2/c1-24-20-4-2-3-19-12-18(14-25-21(19)20)11-16-5-7-17(8-6-16)13-23-10-9-22-15-23/h2-10,15,18H,11-14H2,1H3
InChIKeySRKLFMDTKPQGPR-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.73
Rot. Bonds5

About 1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole

1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole (PubChem CID 72861996) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole
PubChem CID72861996
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole
SMILESCOc1cccc2c1OCC(Cc1ccc(Cn3ccnc3)cc1)C2
InChIInChI=1S/C21H22N2O2/c1-24-20-4-2-3-19-12-18(14-25-21(19)20)11-16-5-7-17(8-6-16)13-23-10-9-22-15-23/h2-10,15,18H,11-14H2,1H3
InChIKeySRKLFMDTKPQGPR-UHFFFAOYSA-N
XLogP3.73
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylpyrimidin-4-amine
CID 97275974
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine
CID 72901612
4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine
CID 97198058
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72901870
1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol
CID 72892173
6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine
CID 72853363
6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72847083
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-(trifluoromethyl)pyridine
CID 72928065
3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 72877522
3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide
CID 97269613
N-[[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]methyl]propanamide
CID 97209832
2-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]acetamide
CID 97272947

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole?
The IUPAC name of 1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole (CID 72861996) is 1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole.
What is the SMILES notation for 1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole?
The canonical SMILES for 1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole is COc1cccc2c1OCC(Cc1ccc(Cn3ccnc3)cc1)C2.
What is the InChIKey of 1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole?
The InChIKey is SRKLFMDTKPQGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-24-20-4-2-3-19-12-18(14-25-21(19)20)11-16-5-7-17(8-6-16)13-23-10-9-22-15-23/h2-10,15,18H,11-14H2,1H3.
What are the key properties of 1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole?
1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole has a molecular weight of 334.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole is sourced from PubChem (CID 72861996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).