N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide

C14H15F2N3O2 — CID 38341813

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide
SMILESCc1ccc(O)c(C(=O)N(C)Cc2nccn2C(F)F)c1
InChIInChI=1S/C14H15F2N3O2/c1-9-3-4-11(20)10(7-9)13(21)18(2)8-12-17-5-6-19(12)14(15)16/h3-7,14,20H,8H2,1-2H3
InChIKeyIEECADXQPLOIRV-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.56
Rot. Bonds4

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide (PubChem CID 38341813) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide
PubChem CID38341813
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide
SMILESCc1ccc(O)c(C(=O)N(C)Cc2nccn2C(F)F)c1
InChIInChI=1S/C14H15F2N3O2/c1-9-3-4-11(20)10(7-9)13(21)18(2)8-12-17-5-6-19(12)14(15)16/h3-7,14,20H,8H2,1-2H3
InChIKeyIEECADXQPLOIRV-UHFFFAOYSA-N
XLogP2.56
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 38341610
5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide
CID 120643126
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide
CID 38342197
2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717766
2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62514005
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylnaphthalene-2-carboxamide
CID 38342160
N-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide
CID 115611587
3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 38343857
2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzamide
CID 63929949
2-hydroxy-5-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717793
1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
CID 119853720
(2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide
CID 95902904

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide (CID 38341813) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide is Cc1ccc(O)c(C(=O)N(C)Cc2nccn2C(F)F)c1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide?
The InChIKey is IEECADXQPLOIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-9-3-4-11(20)10(7-9)13(21)18(2)8-12-17-5-6-19(12)14(15)16/h3-7,14,20H,8H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide has a molecular weight of 295.29 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 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-hydroxy-N,5-dimethylbenzamide is sourced from PubChem (CID 38341813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).