5-(3,3-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide

C12H17F2N3O2 — CID 175765364

IUPAC5-(3,3-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide
SMILESCOc1nc(C)c(C2CCCC(F)(F)C2)n1C(N)=O
InChIInChI=1S/C12H17F2N3O2/c1-7-9(8-4-3-5-12(13,14)6-8)17(10(15)18)11(16-7)19-2/h8H,3-6H2,1-2H3,(H2,15,18)
InChIKeyLBAKFPXNKQFFPN-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.42
Rot. Bonds2

About 5-(3,3-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide

5-(3,3-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide (PubChem CID 175765364) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is 5-(3,3-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide.

Molecular Properties

Compound Name5-(3,3-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide
PubChem CID175765364
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC Name5-(3,3-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide
SMILESCOc1nc(C)c(C2CCCC(F)(F)C2)n1C(N)=O
InChIInChI=1S/C12H17F2N3O2/c1-7-9(8-4-3-5-12(13,14)6-8)17(10(15)18)11(16-7)19-2/h8H,3-6H2,1-2H3,(H2,15,18)
InChIKeyLBAKFPXNKQFFPN-UHFFFAOYSA-N
XLogP2.42
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide?
The IUPAC name of 5-(3,3-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide (CID 175765364) is 5-(3,3-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide.
What is the SMILES notation for 5-(3,3-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide?
The canonical SMILES for 5-(3,3-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide is COc1nc(C)c(C2CCCC(F)(F)C2)n1C(N)=O.
What is the InChIKey of 5-(3,3-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide?
The InChIKey is LBAKFPXNKQFFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c1-7-9(8-4-3-5-12(13,14)6-8)17(10(15)18)11(16-7)19-2/h8H,3-6H2,1-2H3,(H2,15,18).
What are the key properties of 5-(3,3-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide?
5-(3,3-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide has a molecular weight of 273.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluorocyclohexyl)-2-methoxy-4-methylimidazole-1-carboxamide is sourced from PubChem (CID 175765364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).