1-cyclopropyl-2-[(2,3-difluorophenyl)methyl]-3-imidazol-1-ylpropan-2-ol

C16H18F2N2O — CID 152554917

IUPAC1-cyclopropyl-2-[(2,3-difluorophenyl)methyl]-3-imidazol-1-ylpropan-2-ol
SMILESOC(Cc1cccc(F)c1F)(CC1CC1)Cn1ccnc1
InChIInChI=1S/C16H18F2N2O/c17-14-3-1-2-13(15(14)18)9-16(21,8-12-4-5-12)10-20-7-6-19-11-20/h1-3,6-7,11-12,21H,4-5,8-10H2
InChIKeyYOGUDRSQHJMWJV-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.94
Rot. Bonds6

About 1-cyclopropyl-2-[(2,3-difluorophenyl)methyl]-3-imidazol-1-ylpropan-2-ol

1-cyclopropyl-2-[(2,3-difluorophenyl)methyl]-3-imidazol-1-ylpropan-2-ol (PubChem CID 152554917) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2,3-difluorophenyl)methyl]-3-imidazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2,3-difluorophenyl)methyl]-3-imidazol-1-ylpropan-2-ol
PubChem CID152554917
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-cyclopropyl-2-[(2,3-difluorophenyl)methyl]-3-imidazol-1-ylpropan-2-ol
SMILESOC(Cc1cccc(F)c1F)(CC1CC1)Cn1ccnc1
InChIInChI=1S/C16H18F2N2O/c17-14-3-1-2-13(15(14)18)9-16(21,8-12-4-5-12)10-20-7-6-19-11-20/h1-3,6-7,11-12,21H,4-5,8-10H2
InChIKeyYOGUDRSQHJMWJV-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(2,3-difluorophenyl)methyl]-3-imidazol-1-ylpropan-2-ol?
The IUPAC name of 1-cyclopropyl-2-[(2,3-difluorophenyl)methyl]-3-imidazol-1-ylpropan-2-ol (CID 152554917) is 1-cyclopropyl-2-[(2,3-difluorophenyl)methyl]-3-imidazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-cyclopropyl-2-[(2,3-difluorophenyl)methyl]-3-imidazol-1-ylpropan-2-ol?
The canonical SMILES for 1-cyclopropyl-2-[(2,3-difluorophenyl)methyl]-3-imidazol-1-ylpropan-2-ol is OC(Cc1cccc(F)c1F)(CC1CC1)Cn1ccnc1.
What is the InChIKey of 1-cyclopropyl-2-[(2,3-difluorophenyl)methyl]-3-imidazol-1-ylpropan-2-ol?
The InChIKey is YOGUDRSQHJMWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c17-14-3-1-2-13(15(14)18)9-16(21,8-12-4-5-12)10-20-7-6-19-11-20/h1-3,6-7,11-12,21H,4-5,8-10H2.
What are the key properties of 1-cyclopropyl-2-[(2,3-difluorophenyl)methyl]-3-imidazol-1-ylpropan-2-ol?
1-cyclopropyl-2-[(2,3-difluorophenyl)methyl]-3-imidazol-1-ylpropan-2-ol has a molecular weight of 292.33 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2,3-difluorophenyl)methyl]-3-imidazol-1-ylpropan-2-ol is sourced from PubChem (CID 152554917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).