2-[4-fluoro-1-[1-(fluoromethyl)cyclopropyl]-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol

C18H24F2N2O — CID 176685662

IUPAC2-[4-fluoro-1-[1-(fluoromethyl)cyclopropyl]-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
SMILESCC(C)C1=CC(F)=c2nc(C(C)(C)O)n(C3(CF)CC3)c2=CC1
InChIInChI=1S/C18H24F2N2O/c1-11(2)12-5-6-14-15(13(20)9-12)21-16(17(3,4)23)22(14)18(10-19)7-8-18/h6,9,11,23H,5,7-8,10H2,1-4H3
InChIKeyZIJTYIAJTIWFII-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.41
Rot. Bonds4

About 2-[4-fluoro-1-[1-(fluoromethyl)cyclopropyl]-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol

2-[4-fluoro-1-[1-(fluoromethyl)cyclopropyl]-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol (PubChem CID 176685662) has the molecular formula C18H24F2N2O and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-[4-fluoro-1-[1-(fluoromethyl)cyclopropyl]-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-fluoro-1-[1-(fluoromethyl)cyclopropyl]-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
PubChem CID176685662
Molecular FormulaC18H24F2N2O
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name2-[4-fluoro-1-[1-(fluoromethyl)cyclopropyl]-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
SMILESCC(C)C1=CC(F)=c2nc(C(C)(C)O)n(C3(CF)CC3)c2=CC1
InChIInChI=1S/C18H24F2N2O/c1-11(2)12-5-6-14-15(13(20)9-12)21-16(17(3,4)23)22(14)18(10-19)7-8-18/h6,9,11,23H,5,7-8,10H2,1-4H3
InChIKeyZIJTYIAJTIWFII-UHFFFAOYSA-N
XLogP2.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-1-[1-(fluoromethyl)cyclopropyl]-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
The IUPAC name of 2-[4-fluoro-1-[1-(fluoromethyl)cyclopropyl]-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol (CID 176685662) is 2-[4-fluoro-1-[1-(fluoromethyl)cyclopropyl]-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-fluoro-1-[1-(fluoromethyl)cyclopropyl]-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-fluoro-1-[1-(fluoromethyl)cyclopropyl]-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol is CC(C)C1=CC(F)=c2nc(C(C)(C)O)n(C3(CF)CC3)c2=CC1.
What is the InChIKey of 2-[4-fluoro-1-[1-(fluoromethyl)cyclopropyl]-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
The InChIKey is ZIJTYIAJTIWFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O/c1-11(2)12-5-6-14-15(13(20)9-12)21-16(17(3,4)23)22(14)18(10-19)7-8-18/h6,9,11,23H,5,7-8,10H2,1-4H3.
What are the key properties of 2-[4-fluoro-1-[1-(fluoromethyl)cyclopropyl]-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
2-[4-fluoro-1-[1-(fluoromethyl)cyclopropyl]-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol has a molecular weight of 322.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-1-[1-(fluoromethyl)cyclopropyl]-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol is sourced from PubChem (CID 176685662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).