1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol

C17H18N4O2 — CID 109411455

IUPAC1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol
SMILESCc1cccc(OCC(O)Cn2ccnc2-c2cnccn2)c1
InChIInChI=1S/C17H18N4O2/c1-13-3-2-4-15(9-13)23-12-14(22)11-21-8-7-20-17(21)16-10-18-5-6-19-16/h2-10,14,22H,11-12H2,1H3
InChIKeyDJNMPTVPAMWCIF-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.09
Rot. Bonds6

About 1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol

1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol (PubChem CID 109411455) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol
PubChem CID109411455
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol
SMILESCc1cccc(OCC(O)Cn2ccnc2-c2cnccn2)c1
InChIInChI=1S/C17H18N4O2/c1-13-3-2-4-15(9-13)23-12-14(22)11-21-8-7-20-17(21)16-10-18-5-6-19-16/h2-10,14,22H,11-12H2,1H3
InChIKeyDJNMPTVPAMWCIF-UHFFFAOYSA-N
XLogP2.09
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-naphthalen-1-yloxy-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol
CID 109411438
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
(2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol
CID 696935
1-(3-methylphenoxy)butan-2-ol
CID 13089920
5-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 110884840
1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 3095128
5-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[3,2-c]pyridin-4-one
CID 110017813
1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 61479372
1-[4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]phenyl]ethanone
CID 111476898
(2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
CID 95889436
1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol
CID 4728819
4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol (CID 109411455) is 1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol is Cc1cccc(OCC(O)Cn2ccnc2-c2cnccn2)c1.
What is the InChIKey of 1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol?
The InChIKey is DJNMPTVPAMWCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-13-3-2-4-15(9-13)23-12-14(22)11-21-8-7-20-17(21)16-10-18-5-6-19-16/h2-10,14,22H,11-12H2,1H3.
What are the key properties of 1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol?
1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol has a molecular weight of 310.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 109411455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).