8-cyclopropyl-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one

C21H18N4O — CID 22224962

IUPAC8-cyclopropyl-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESO=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(C3CC3)cc2N1
InChIInChI=1S/C21H18N4O/c26-21-12-19(16-2-1-3-17(10-16)25-9-8-22-13-25)23-18-7-6-15(14-4-5-14)11-20(18)24-21/h1-3,6-11,13-14H,4-5,12H2,(H,24,26)
InChIKeyIBIFNZSPTIKEKM-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.21
Rot. Bonds3

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

8-cyclopropyl-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one (PubChem CID 22224962) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 8-cyclopropyl-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name8-cyclopropyl-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
PubChem CID22224962
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name8-cyclopropyl-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESO=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(C3CC3)cc2N1
InChIInChI=1S/C21H18N4O/c26-21-12-19(16-2-1-3-17(10-16)25-9-8-22-13-25)23-18-7-6-15(14-4-5-14)11-20(18)24-21/h1-3,6-11,13-14H,4-5,12H2,(H,24,26)
InChIKeyIBIFNZSPTIKEKM-UHFFFAOYSA-N
XLogP4.21
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Imazodan
CID 55918
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
CI-930 hydrochloride
CID 3021728
2-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide
CID 16009114
N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide
CID 9677330
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
7-Dimethylamino-4-(3-imidazol-1-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 10201802
4-(3-Imidazol-1-yl-phenyl)-7-isobutylamino-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 10297067

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 8-cyclopropyl-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one (CID 22224962) is 8-cyclopropyl-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 8-cyclopropyl-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 8-cyclopropyl-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one is O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(C3CC3)cc2N1.
What is the InChIKey of 8-cyclopropyl-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is IBIFNZSPTIKEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c26-21-12-19(16-2-1-3-17(10-16)25-9-8-22-13-25)23-18-7-6-15(14-4-5-14)11-20(18)24-21/h1-3,6-11,13-14H,4-5,12H2,(H,24,26).
What are the key properties of 8-cyclopropyl-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
8-cyclopropyl-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 342.40 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 22224962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).