1-(4-ethylphenoxy)-3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride

C23H30ClN3O3 — CID 138959248

IUPAC1-(4-ethylphenoxy)-3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride
SMILESCCc1ccc(OCC(O)CNC(c2cccc(OC)c2)c2nccn2C)cc1.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-4-17-8-10-20(11-9-17)29-16-19(27)15-25-22(23-24-12-13-26(23)2)18-6-5-7-21(14-18)28-3;/h5-14,19,22,25,27H,4,15-16H2,1-3H3;1H
InChIKeyTZBUNUZUWDDQOX-UHFFFAOYSA-N
MW431.96 g/mol
LogP3.53
Rot. Bonds10

About 1-(4-ethylphenoxy)-3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride

1-(4-ethylphenoxy)-3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride (PubChem CID 138959248) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)-3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-ethylphenoxy)-3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride
PubChem CID138959248
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC Name1-(4-ethylphenoxy)-3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride
SMILESCCc1ccc(OCC(O)CNC(c2cccc(OC)c2)c2nccn2C)cc1.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-4-17-8-10-20(11-9-17)29-16-19(27)15-25-22(23-24-12-13-26(23)2)18-6-5-7-21(14-18)28-3;/h5-14,19,22,25,27H,4,15-16H2,1-3H3;1H
InChIKeyTZBUNUZUWDDQOX-UHFFFAOYSA-N
XLogP3.53
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(2,3,5-trimethylphenoxy)propan-2-ol;hydrochloride
CID 138959186
1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 138961359
1-(3,5-dimethylphenoxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride
CID 138961277
1-[(4-chlorophenyl)methoxy]-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride
CID 138961365
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51269269
(1S)-N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 94193703
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
N-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide
CID 47044298
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 25350189
4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 30160578
1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 138961351
1-(2-tert-butyl-4-methylphenoxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol
CID 138961354

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)-3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-ethylphenoxy)-3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride (CID 138959248) is 1-(4-ethylphenoxy)-3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-ethylphenoxy)-3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-ethylphenoxy)-3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride is CCc1ccc(OCC(O)CNC(c2cccc(OC)c2)c2nccn2C)cc1.Cl.
What is the InChIKey of 1-(4-ethylphenoxy)-3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride?
The InChIKey is TZBUNUZUWDDQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3.ClH/c1-4-17-8-10-20(11-9-17)29-16-19(27)15-25-22(23-24-12-13-26(23)2)18-6-5-7-21(14-18)28-3;/h5-14,19,22,25,27H,4,15-16H2,1-3H3;1H.
What are the key properties of 1-(4-ethylphenoxy)-3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride?
1-(4-ethylphenoxy)-3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride has a molecular weight of 431.96 g/mol, XLogP of 3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)-3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride is sourced from PubChem (CID 138959248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).