4-(3-imidazol-1-ylphenyl)-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one

C20H15F3N4O — CID 18548739

IUPAC4-(3-imidazol-1-ylphenyl)-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-n3ccnc3)c1)=N2
InChIInChI=1S/C20H15F3N4O/c1-12-7-17-18(9-15(12)20(21,22)23)26-19(28)10-16(25-17)13-3-2-4-14(8-13)27-6-5-24-11-27/h2-9,11H,10H2,1H3,(H,26,28)
InChIKeyKJFSUONZDZKWIS-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.66
Rot. Bonds2

About 4-(3-imidazol-1-ylphenyl)-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one

4-(3-imidazol-1-ylphenyl)-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one (PubChem CID 18548739) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylphenyl)-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name4-(3-imidazol-1-ylphenyl)-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one
PubChem CID18548739
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name4-(3-imidazol-1-ylphenyl)-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-n3ccnc3)c1)=N2
InChIInChI=1S/C20H15F3N4O/c1-12-7-17-18(9-15(12)20(21,22)23)26-19(28)10-16(25-17)13-3-2-4-14(8-13)27-6-5-24-11-27/h2-9,11H,10H2,1H3,(H,26,28)
InChIKeyKJFSUONZDZKWIS-UHFFFAOYSA-N
XLogP4.66
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Imazodan
CID 55918
Agi-5198
CID 56645356
4,5-Dihydro-6-(4-(imidazol-1-yl)phenyl)-5-methyl-3(2H)-pyridazinone
CID 3021729
7,8-Dimethyl-4-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 10453303
8-(2-Fluoro-phenyl)-4-(3-imidazol-1-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 22224657
Imazodan Hydrochloride
CID 55917
N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 4463079
1-methyl-N-(3-methyl-4-(trifluoromethyl)phenyl)-4-(pyridin-4-ylmethylamino)-1H-imidazole-5-carboxamide
CID 44439457
N-(3,4-Dimethyl-phenyl)-2-imidazol-1-yl-acetamide
CID 686405
N-[4-(1H-imidazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 1508858
8-(4-Fluoro-phenylethynyl)-4-(3-imidazol-1-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 9888376
4-(3-Imidazol-1-ylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 9909080

Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazol-1-ylphenyl)-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 4-(3-imidazol-1-ylphenyl)-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one (CID 18548739) is 4-(3-imidazol-1-ylphenyl)-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 4-(3-imidazol-1-ylphenyl)-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 4-(3-imidazol-1-ylphenyl)-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one is Cc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-n3ccnc3)c1)=N2.
What is the InChIKey of 4-(3-imidazol-1-ylphenyl)-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is KJFSUONZDZKWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-12-7-17-18(9-15(12)20(21,22)23)26-19(28)10-16(25-17)13-3-2-4-14(8-13)27-6-5-24-11-27/h2-9,11H,10H2,1H3,(H,26,28).
What are the key properties of 4-(3-imidazol-1-ylphenyl)-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
4-(3-imidazol-1-ylphenyl)-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 384.36 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-ylphenyl)-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 18548739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).