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

C14H16F2N4O — CID 120643126

IUPAC5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide
SMILESCc1ccc(N)cc1C(=O)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C14H16F2N4O/c1-9-3-4-10(17)7-11(9)13(21)19(2)8-12-18-5-6-20(12)14(15)16/h3-7,14H,8,17H2,1-2H3
InChIKeyMLTKMQTXYUSYHF-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.44
Rot. Bonds4

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

5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide (PubChem CID 120643126) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide
PubChem CID120643126
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide
SMILESCc1ccc(N)cc1C(=O)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C14H16F2N4O/c1-9-3-4-10(17)7-11(9)13(21)19(2)8-12-18-5-6-20(12)14(15)16/h3-7,14H,8,17H2,1-2H3
InChIKeyMLTKMQTXYUSYHF-UHFFFAOYSA-N
XLogP2.44
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 38341813
3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 38343857
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide
CID 38342197
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 38341610
5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61116431
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylnaphthalene-2-carboxamide
CID 38342160
5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120626074
5-amino-N,2-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 61291923
3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride
CID 120612493
ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate
CID 55024545
2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide
CID 134044459
3-[2-(benzenesulfonyl)ethyl]-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylurea
CID 87038968

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide?
The IUPAC name of 5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide (CID 120643126) is 5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide?
The canonical SMILES for 5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide is Cc1ccc(N)cc1C(=O)N(C)Cc1nccn1C(F)F.
What is the InChIKey of 5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide?
The InChIKey is MLTKMQTXYUSYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-9-3-4-10(17)7-11(9)13(21)19(2)8-12-18-5-6-20(12)14(15)16/h3-7,14H,8,17H2,1-2H3.
What are the key properties of 5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide?
5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide has a molecular weight of 294.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 120643126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).