5-[2-(difluoromethoxy)phenyl]-3-methyl-2-propylimidazol-4-amine

C14H17F2N3O — CID 62219217

IUPAC5-[2-(difluoromethoxy)phenyl]-3-methyl-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccccc2OC(F)F)c(N)n1C
InChIInChI=1S/C14H17F2N3O/c1-3-6-11-18-12(13(17)19(11)2)9-7-4-5-8-10(9)20-14(15)16/h4-5,7-8,14H,3,6,17H2,1-2H3
InChIKeyGVDCENQVBRAQMO-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.22
Rot. Bonds5

About 5-[2-(difluoromethoxy)phenyl]-3-methyl-2-propylimidazol-4-amine

5-[2-(difluoromethoxy)phenyl]-3-methyl-2-propylimidazol-4-amine (PubChem CID 62219217) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)phenyl]-3-methyl-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)phenyl]-3-methyl-2-propylimidazol-4-amine
PubChem CID62219217
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name5-[2-(difluoromethoxy)phenyl]-3-methyl-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccccc2OC(F)F)c(N)n1C
InChIInChI=1S/C14H17F2N3O/c1-3-6-11-18-12(13(17)19(11)2)9-7-4-5-8-10(9)20-14(15)16/h4-5,7-8,14H,3,6,17H2,1-2H3
InChIKeyGVDCENQVBRAQMO-UHFFFAOYSA-N
XLogP3.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)phenyl]-3-methyl-2-propylimidazol-4-amine?
The IUPAC name of 5-[2-(difluoromethoxy)phenyl]-3-methyl-2-propylimidazol-4-amine (CID 62219217) is 5-[2-(difluoromethoxy)phenyl]-3-methyl-2-propylimidazol-4-amine.
What is the SMILES notation for 5-[2-(difluoromethoxy)phenyl]-3-methyl-2-propylimidazol-4-amine?
The canonical SMILES for 5-[2-(difluoromethoxy)phenyl]-3-methyl-2-propylimidazol-4-amine is CCCc1nc(-c2ccccc2OC(F)F)c(N)n1C.
What is the InChIKey of 5-[2-(difluoromethoxy)phenyl]-3-methyl-2-propylimidazol-4-amine?
The InChIKey is GVDCENQVBRAQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-3-6-11-18-12(13(17)19(11)2)9-7-4-5-8-10(9)20-14(15)16/h4-5,7-8,14H,3,6,17H2,1-2H3.
What are the key properties of 5-[2-(difluoromethoxy)phenyl]-3-methyl-2-propylimidazol-4-amine?
5-[2-(difluoromethoxy)phenyl]-3-methyl-2-propylimidazol-4-amine has a molecular weight of 281.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)phenyl]-3-methyl-2-propylimidazol-4-amine is sourced from PubChem (CID 62219217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).