4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine

C18H24FN3O3 — CID 56750376

IUPAC4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine
SMILESCOc1cc(F)c(-c2nccn2CCCN2CCOCC2)cc1OC
InChIInChI=1S/C18H24FN3O3/c1-23-16-12-14(15(19)13-17(16)24-2)18-20-4-7-22(18)6-3-5-21-8-10-25-11-9-21/h4,7,12-13H,3,5-6,8-11H2,1-2H3
InChIKeyRQABPMMJWWKJQU-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.43
Rot. Bonds7

About 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine

4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine (PubChem CID 56750376) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine
PubChem CID56750376
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine
SMILESCOc1cc(F)c(-c2nccn2CCCN2CCOCC2)cc1OC
InChIInChI=1S/C18H24FN3O3/c1-23-16-12-14(15(19)13-17(16)24-2)18-20-4-7-22(18)6-3-5-21-8-10-25-11-9-21/h4,7,12-13H,3,5-6,8-11H2,1-2H3
InChIKeyRQABPMMJWWKJQU-UHFFFAOYSA-N
XLogP2.43
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-Ethoxy-4-methoxybenzyl)-1-piperazinyl]pyrimidine
CID 1206031
1-[2-[4-Methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole
CID 4564402
1-(beta-[3-(4-Methoxyphenyl)propoxy]-4-methoxyphenethyl)-1H-imidazole hydrochloride
CID 11957693
1-(3-(1H-imidazol-1-yl)propyl)-3-(3,4-dimethoxybenzyl)thiourea
CID 6539190
2-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]imidazole;hydrochloride
CID 12761776
1-[2-(3,4-Dimethoxyphenyl)ethylamino]-3-[4-(1-methylimidazol-2-yl)phenoxy]propan-2-ol;dihydrochloride
CID 13302061
1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]-2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine
CID 70781685
(1-benzyl-1H-imidazol-2-yl)(3,4-dimethoxyphenyl)methanol
CID 3738614
2-(3,4-Dimethoxy-phenyl)-5-imidazol-1-ylmethyl-pyridine
CID 44456068
(6S)-6-(fluoromethyl)-3-[3-methoxy-4-(trifluoromethoxy)phenyl]-1-(2-methylpyridin-4-yl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
CID 78319945
(6R)-3-[3-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-(2-methylpyridin-4-yl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
CID 78320249
(6R)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
CID 131636372

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine (CID 56750376) is 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine is COc1cc(F)c(-c2nccn2CCCN2CCOCC2)cc1OC.
What is the InChIKey of 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine?
The InChIKey is RQABPMMJWWKJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-23-16-12-14(15(19)13-17(16)24-2)18-20-4-7-22(18)6-3-5-21-8-10-25-11-9-21/h4,7,12-13H,3,5-6,8-11H2,1-2H3.
What are the key properties of 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine?
4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine has a molecular weight of 349.41 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 56750376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).