5-cyclopropyl-2-(4,4-difluorocyclohexyl)oxy-4-methylimidazole-1-carboxamide

C14H19F2N3O2 — CID 175765368

IUPAC5-cyclopropyl-2-(4,4-difluorocyclohexyl)oxy-4-methylimidazole-1-carboxamide
SMILESCc1nc(OC2CCC(F)(F)CC2)n(C(N)=O)c1C1CC1
InChIInChI=1S/C14H19F2N3O2/c1-8-11(9-2-3-9)19(12(17)20)13(18-8)21-10-4-6-14(15,16)7-5-10/h9-10H,2-7H2,1H3,(H2,17,20)
InChIKeyRVLUEYLOIHHHCT-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.95
Rot. Bonds3

About 5-cyclopropyl-2-(4,4-difluorocyclohexyl)oxy-4-methylimidazole-1-carboxamide

5-cyclopropyl-2-(4,4-difluorocyclohexyl)oxy-4-methylimidazole-1-carboxamide (PubChem CID 175765368) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4,4-difluorocyclohexyl)oxy-4-methylimidazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-(4,4-difluorocyclohexyl)oxy-4-methylimidazole-1-carboxamide
PubChem CID175765368
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name5-cyclopropyl-2-(4,4-difluorocyclohexyl)oxy-4-methylimidazole-1-carboxamide
SMILESCc1nc(OC2CCC(F)(F)CC2)n(C(N)=O)c1C1CC1
InChIInChI=1S/C14H19F2N3O2/c1-8-11(9-2-3-9)19(12(17)20)13(18-8)21-10-4-6-14(15,16)7-5-10/h9-10H,2-7H2,1H3,(H2,17,20)
InChIKeyRVLUEYLOIHHHCT-UHFFFAOYSA-N
XLogP2.95
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(4,4-difluorocyclohexyl)oxy-4-methylimidazole-1-carboxamide?
The IUPAC name of 5-cyclopropyl-2-(4,4-difluorocyclohexyl)oxy-4-methylimidazole-1-carboxamide (CID 175765368) is 5-cyclopropyl-2-(4,4-difluorocyclohexyl)oxy-4-methylimidazole-1-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-(4,4-difluorocyclohexyl)oxy-4-methylimidazole-1-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-(4,4-difluorocyclohexyl)oxy-4-methylimidazole-1-carboxamide is Cc1nc(OC2CCC(F)(F)CC2)n(C(N)=O)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-2-(4,4-difluorocyclohexyl)oxy-4-methylimidazole-1-carboxamide?
The InChIKey is RVLUEYLOIHHHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-8-11(9-2-3-9)19(12(17)20)13(18-8)21-10-4-6-14(15,16)7-5-10/h9-10H,2-7H2,1H3,(H2,17,20).
What are the key properties of 5-cyclopropyl-2-(4,4-difluorocyclohexyl)oxy-4-methylimidazole-1-carboxamide?
5-cyclopropyl-2-(4,4-difluorocyclohexyl)oxy-4-methylimidazole-1-carboxamide has a molecular weight of 299.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(4,4-difluorocyclohexyl)oxy-4-methylimidazole-1-carboxamide is sourced from PubChem (CID 175765368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).