4-[1-(methoxymethyl)imidazol-2-yl]-1,1-diphenylbutane-1,3-diol

C21H24N2O3 — CID 171986323

IUPAC4-[1-(methoxymethyl)imidazol-2-yl]-1,1-diphenylbutane-1,3-diol
SMILESCOCn1ccnc1CC(O)CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-26-16-23-13-12-22-20(23)14-19(24)15-21(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,19,24-25H,14-16H2,1H3
InChIKeyBBPHWLBTWSJUOA-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.72
Rot. Bonds8

About 4-[1-(methoxymethyl)imidazol-2-yl]-1,1-diphenylbutane-1,3-diol

4-[1-(methoxymethyl)imidazol-2-yl]-1,1-diphenylbutane-1,3-diol (PubChem CID 171986323) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-[1-(methoxymethyl)imidazol-2-yl]-1,1-diphenylbutane-1,3-diol.

Molecular Properties

Compound Name4-[1-(methoxymethyl)imidazol-2-yl]-1,1-diphenylbutane-1,3-diol
PubChem CID171986323
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-[1-(methoxymethyl)imidazol-2-yl]-1,1-diphenylbutane-1,3-diol
SMILESCOCn1ccnc1CC(O)CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-26-16-23-13-12-22-20(23)14-19(24)15-21(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,19,24-25H,14-16H2,1H3
InChIKeyBBPHWLBTWSJUOA-UHFFFAOYSA-N
XLogP2.72
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744122
1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol
CID 79752865
2-(chloromethyl)-1-(methoxymethyl)imidazole
CID 14316830
2-methyl-2-phenyl-1-(1-propylimidazol-2-yl)propan-1-ol
CID 63975212
3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine
CID 79752293
2-(2-methoxyethyl)-1-(methoxymethyl)imidazole
CID 155146920
1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 79752637
1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol
CID 105112307
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
1-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 63976496
3-methoxy-1,1-diphenylbutan-1-ol
CID 13380056
1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79762429

Frequently Asked Questions

What is the IUPAC name of 4-[1-(methoxymethyl)imidazol-2-yl]-1,1-diphenylbutane-1,3-diol?
The IUPAC name of 4-[1-(methoxymethyl)imidazol-2-yl]-1,1-diphenylbutane-1,3-diol (CID 171986323) is 4-[1-(methoxymethyl)imidazol-2-yl]-1,1-diphenylbutane-1,3-diol.
What is the SMILES notation for 4-[1-(methoxymethyl)imidazol-2-yl]-1,1-diphenylbutane-1,3-diol?
The canonical SMILES for 4-[1-(methoxymethyl)imidazol-2-yl]-1,1-diphenylbutane-1,3-diol is COCn1ccnc1CC(O)CC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[1-(methoxymethyl)imidazol-2-yl]-1,1-diphenylbutane-1,3-diol?
The InChIKey is BBPHWLBTWSJUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-16-23-13-12-22-20(23)14-19(24)15-21(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,19,24-25H,14-16H2,1H3.
What are the key properties of 4-[1-(methoxymethyl)imidazol-2-yl]-1,1-diphenylbutane-1,3-diol?
4-[1-(methoxymethyl)imidazol-2-yl]-1,1-diphenylbutane-1,3-diol has a molecular weight of 352.43 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methoxymethyl)imidazol-2-yl]-1,1-diphenylbutane-1,3-diol is sourced from PubChem (CID 171986323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).