N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide

C19H20F2N4O — CID 38341753

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C19H20F2N4O/c1-12-14-6-4-5-7-16(14)23-13(2)15(12)10-18(26)24(3)11-17-22-8-9-25(17)19(20)21/h4-9,19H,10-11H2,1-3H3
InChIKeyLFFHDCRZBXDPOU-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.64
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide (PubChem CID 38341753) has the molecular formula C19H20F2N4O and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide
PubChem CID38341753
Molecular FormulaC19H20F2N4O
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C19H20F2N4O/c1-12-14-6-4-5-7-16(14)23-13(2)15(12)10-18(26)24(3)11-17-22-8-9-25(17)19(20)21/h4-9,19H,10-11H2,1-3H3
InChIKeyLFFHDCRZBXDPOU-UHFFFAOYSA-N
XLogP3.64
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide (CID 38341753) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide is Cc1nc2ccccc2c(C)c1CC(=O)N(C)Cc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide?
The InChIKey is LFFHDCRZBXDPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O/c1-12-14-6-4-5-7-16(14)23-13(2)15(12)10-18(26)24(3)11-17-22-8-9-25(17)19(20)21/h4-9,19H,10-11H2,1-3H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide has a molecular weight of 358.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide is sourced from PubChem (CID 38341753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).