3-[[5-(1-methylcyclopropyl)-4-phenylimidazol-1-yl]methyl]cyclobutan-1-ol

C18H22N2O — CID 167743109

IUPAC3-[[5-(1-methylcyclopropyl)-4-phenylimidazol-1-yl]methyl]cyclobutan-1-ol
SMILESCC1(c2c(-c3ccccc3)ncn2CC2CC(O)C2)CC1
InChIInChI=1S/C18H22N2O/c1-18(7-8-18)17-16(14-5-3-2-4-6-14)19-12-20(17)11-13-9-15(21)10-13/h2-6,12-13,15,21H,7-11H2,1H3
InChIKeyVYKRQMNRBAVALD-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.37
Rot. Bonds4

About 3-[[5-(1-methylcyclopropyl)-4-phenylimidazol-1-yl]methyl]cyclobutan-1-ol

3-[[5-(1-methylcyclopropyl)-4-phenylimidazol-1-yl]methyl]cyclobutan-1-ol (PubChem CID 167743109) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[[5-(1-methylcyclopropyl)-4-phenylimidazol-1-yl]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[5-(1-methylcyclopropyl)-4-phenylimidazol-1-yl]methyl]cyclobutan-1-ol
PubChem CID167743109
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-[[5-(1-methylcyclopropyl)-4-phenylimidazol-1-yl]methyl]cyclobutan-1-ol
SMILESCC1(c2c(-c3ccccc3)ncn2CC2CC(O)C2)CC1
InChIInChI=1S/C18H22N2O/c1-18(7-8-18)17-16(14-5-3-2-4-6-14)19-12-20(17)11-13-9-15(21)10-13/h2-6,12-13,15,21H,7-11H2,1H3
InChIKeyVYKRQMNRBAVALD-UHFFFAOYSA-N
XLogP3.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-1-Cyclopropyl-1-((5aR,6S)-1-(4-fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)ethanol
CID 45486385
(R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-4-methylpentan-2-ol
CID 45486439
(R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)pent-4-en-2-ol
CID 45486474
(R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)hexan-2-ol
CID 45486478
1-[1-(4-fluorophenyl)-5a-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-b]isoquinolin-6-yl]but-3-en-1-ol
CID 45486442
1-(methoxymethyl)-4,5-diphenyl-1H-imidazole
CID 1203650
1-Azolyl-4-phenyl-2-butanone, 62
CID 44604580
1-Azolyl-4-phenyl-2-butanone, 63
CID 44604581
3-[5-(1-ethylpiperidin-3-yl)-4-phenyl-1H-imidazol-1-yl]propan-1-ol
CID 50963958
N-ethyl-N,2-dimethyl-3-(5-methyl-4-phenyl-1H-imidazol-1-yl)propan-1-amine
CID 50970682
1-{2-[5-(3-fluoro-5-methylphenyl)-4-phenyl-1H-imidazol-1-yl]ethyl}piperidin-4-ol
CID 50948484
4-Phenyl-1,5-dipropylimidazole
CID 14950650

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(1-methylcyclopropyl)-4-phenylimidazol-1-yl]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[5-(1-methylcyclopropyl)-4-phenylimidazol-1-yl]methyl]cyclobutan-1-ol (CID 167743109) is 3-[[5-(1-methylcyclopropyl)-4-phenylimidazol-1-yl]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[5-(1-methylcyclopropyl)-4-phenylimidazol-1-yl]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[5-(1-methylcyclopropyl)-4-phenylimidazol-1-yl]methyl]cyclobutan-1-ol is CC1(c2c(-c3ccccc3)ncn2CC2CC(O)C2)CC1.
What is the InChIKey of 3-[[5-(1-methylcyclopropyl)-4-phenylimidazol-1-yl]methyl]cyclobutan-1-ol?
The InChIKey is VYKRQMNRBAVALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(7-8-18)17-16(14-5-3-2-4-6-14)19-12-20(17)11-13-9-15(21)10-13/h2-6,12-13,15,21H,7-11H2,1H3.
What are the key properties of 3-[[5-(1-methylcyclopropyl)-4-phenylimidazol-1-yl]methyl]cyclobutan-1-ol?
3-[[5-(1-methylcyclopropyl)-4-phenylimidazol-1-yl]methyl]cyclobutan-1-ol has a molecular weight of 282.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(1-methylcyclopropyl)-4-phenylimidazol-1-yl]methyl]cyclobutan-1-ol is sourced from PubChem (CID 167743109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).