1-(1-phenylmethoxyethyl)-4,5-dihydroimidazole

C12H16N2O — CID 174768591

IUPAC1-(1-phenylmethoxyethyl)-4,5-dihydroimidazole
SMILESCC(OCc1ccccc1)N1C=NCC1
InChIInChI=1S/C12H16N2O/c1-11(14-8-7-13-10-14)15-9-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3
InChIKeyCRRXOGQULJSHAF-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.89
Rot. Bonds4

About 1-(1-phenylmethoxyethyl)-4,5-dihydroimidazole

1-(1-phenylmethoxyethyl)-4,5-dihydroimidazole (PubChem CID 174768591) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(1-phenylmethoxyethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(1-phenylmethoxyethyl)-4,5-dihydroimidazole
PubChem CID174768591
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(1-phenylmethoxyethyl)-4,5-dihydroimidazole
SMILESCC(OCc1ccccc1)N1C=NCC1
InChIInChI=1S/C12H16N2O/c1-11(14-8-7-13-10-14)15-9-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3
InChIKeyCRRXOGQULJSHAF-UHFFFAOYSA-N
XLogP1.89
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-chloroethoxymethylbenzene
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[(1S)-1-cyclopropylethoxy]methylbenzene
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5-chloro-1-(1-phenylmethoxyethyl)pyrimidin-2-one
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1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol
CID 67938820
2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
CID 14373623
butan-2-yloxymethylbenzene;ethane
CID 161043537
1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine
CID 3477128
(3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene
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[(3S)-3-iodopentan-2-yl]oxymethylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylmethoxyethyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(1-phenylmethoxyethyl)-4,5-dihydroimidazole (CID 174768591) is 1-(1-phenylmethoxyethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(1-phenylmethoxyethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(1-phenylmethoxyethyl)-4,5-dihydroimidazole is CC(OCc1ccccc1)N1C=NCC1.
What is the InChIKey of 1-(1-phenylmethoxyethyl)-4,5-dihydroimidazole?
The InChIKey is CRRXOGQULJSHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-11(14-8-7-13-10-14)15-9-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3.
What are the key properties of 1-(1-phenylmethoxyethyl)-4,5-dihydroimidazole?
1-(1-phenylmethoxyethyl)-4,5-dihydroimidazole has a molecular weight of 204.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylmethoxyethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 174768591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).