2-[4-[1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazol-2-yl]phenoxy]ethanol

C22H24N2O4 — CID 155918657

IUPAC2-[4-[1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazol-2-yl]phenoxy]ethanol
SMILESCOc1cccc2c1OCC(Cn1ccnc1-c1ccc(OCCO)cc1)C2
InChIInChI=1S/C22H24N2O4/c1-26-20-4-2-3-18-13-16(15-28-21(18)20)14-24-10-9-23-22(24)17-5-7-19(8-6-17)27-12-11-25/h2-10,16,25H,11-15H2,1H3
InChIKeyDBDXSZWPOISYLO-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.18
Rot. Bonds7

About 2-[4-[1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazol-2-yl]phenoxy]ethanol

2-[4-[1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazol-2-yl]phenoxy]ethanol (PubChem CID 155918657) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[4-[1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazol-2-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazol-2-yl]phenoxy]ethanol
PubChem CID155918657
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-[4-[1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazol-2-yl]phenoxy]ethanol
SMILESCOc1cccc2c1OCC(Cn1ccnc1-c1ccc(OCCO)cc1)C2
InChIInChI=1S/C22H24N2O4/c1-26-20-4-2-3-18-13-16(15-28-21(18)20)14-24-10-9-23-22(24)17-5-7-19(8-6-17)27-12-11-25/h2-10,16,25H,11-15H2,1H3
InChIKeyDBDXSZWPOISYLO-UHFFFAOYSA-N
XLogP3.18
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazol-2-yl]phenoxy]ethanol with MolForge

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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-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine
CID 72901612
1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol
CID 72892173
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72901870
2-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylpyridine-3-carboxamide
CID 97202786
8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46958337
1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole
CID 72861996
N-ethyl-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylpyrimidin-4-amine
CID 97275974
4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine
CID 97198058
1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole
CID 165421175
2-(2,4-difluoro-3-methoxyphenyl)-1-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazole
CID 154818824
[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 72890511

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazol-2-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazol-2-yl]phenoxy]ethanol (CID 155918657) is 2-[4-[1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazol-2-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazol-2-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazol-2-yl]phenoxy]ethanol is COc1cccc2c1OCC(Cn1ccnc1-c1ccc(OCCO)cc1)C2.
What is the InChIKey of 2-[4-[1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazol-2-yl]phenoxy]ethanol?
The InChIKey is DBDXSZWPOISYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-26-20-4-2-3-18-13-16(15-28-21(18)20)14-24-10-9-23-22(24)17-5-7-19(8-6-17)27-12-11-25/h2-10,16,25H,11-15H2,1H3.
What are the key properties of 2-[4-[1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazol-2-yl]phenoxy]ethanol?
2-[4-[1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazol-2-yl]phenoxy]ethanol has a molecular weight of 380.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazol-2-yl]phenoxy]ethanol is sourced from PubChem (CID 155918657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).