2-[4-fluoro-8-methoxy-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol

C18H27FN2O2 — CID 176685785

IUPAC2-[4-fluoro-8-methoxy-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
SMILESCOC1=c2c(nc(C(C)(C)O)n2C(C)C)=C(F)C=C(C(C)C)C1
InChIInChI=1S/C18H27FN2O2/c1-10(2)12-8-13(19)15-16(14(9-12)23-7)21(11(3)4)17(20-15)18(5,6)22/h8,10-11,22H,9H2,1-7H3
InChIKeyKXAMZGJBPIWPNJ-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.51
Rot. Bonds4

About 2-[4-fluoro-8-methoxy-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol

2-[4-fluoro-8-methoxy-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol (PubChem CID 176685785) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-[4-fluoro-8-methoxy-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-fluoro-8-methoxy-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
PubChem CID176685785
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name2-[4-fluoro-8-methoxy-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
SMILESCOC1=c2c(nc(C(C)(C)O)n2C(C)C)=C(F)C=C(C(C)C)C1
InChIInChI=1S/C18H27FN2O2/c1-10(2)12-8-13(19)15-16(14(9-12)23-7)21(11(3)4)17(20-15)18(5,6)22/h8,10-11,22H,9H2,1-7H3
InChIKeyKXAMZGJBPIWPNJ-UHFFFAOYSA-N
XLogP2.51
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1,1-difluoropropan-2-yl)-4-fluoro-6-propan-2-yl-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
CID 176685600
2-[8-fluoro-3,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
CID 176685667

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-8-methoxy-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
The IUPAC name of 2-[4-fluoro-8-methoxy-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol (CID 176685785) is 2-[4-fluoro-8-methoxy-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-fluoro-8-methoxy-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-fluoro-8-methoxy-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol is COC1=c2c(nc(C(C)(C)O)n2C(C)C)=C(F)C=C(C(C)C)C1.
What is the InChIKey of 2-[4-fluoro-8-methoxy-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
The InChIKey is KXAMZGJBPIWPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-10(2)12-8-13(19)15-16(14(9-12)23-7)21(11(3)4)17(20-15)18(5,6)22/h8,10-11,22H,9H2,1-7H3.
What are the key properties of 2-[4-fluoro-8-methoxy-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol?
2-[4-fluoro-8-methoxy-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol has a molecular weight of 322.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-8-methoxy-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol is sourced from PubChem (CID 176685785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).