4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C18H20N4O2 — CID 166302964

IUPAC4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCC1CCCn2c(C(=O)N3CC(=O)Nc4ccccc4C3)cnc21
InChIInChI=1S/C18H20N4O2/c1-12-5-4-8-22-15(9-19-17(12)22)18(24)21-10-13-6-2-3-7-14(13)20-16(23)11-21/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3,(H,20,23)
InChIKeyOJFFWUVMSLRFOK-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.37
Rot. Bonds1

About 4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 166302964) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID166302964
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCC1CCCn2c(C(=O)N3CC(=O)Nc4ccccc4C3)cnc21
InChIInChI=1S/C18H20N4O2/c1-12-5-4-8-22-15(9-19-17(12)22)18(24)21-10-13-6-2-3-7-14(13)20-16(23)11-21/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3,(H,20,23)
InChIKeyOJFFWUVMSLRFOK-UHFFFAOYSA-N
XLogP2.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one with MolForge

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Related Compounds

4-(5-methyloxolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 81331115
4-(oxane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365324
4-(6-chloropyridine-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365429
4-(2-chlorofuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 106688413
4-(4-methylthiophene-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 79808712
4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 138023947
4-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 166310592
4-(2,5-dimethylfuran-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365276
4-(3-chlorothiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 80641973
4-(2-propylpentanoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 82989503
4-(4-methoxythiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 81121274
[(2S)-3-methyl-1-oxo-1-(2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)butan-2-yl]urea
CID 155962110

Frequently Asked Questions

What is the IUPAC name of 4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 166302964) is 4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is CC1CCCn2c(C(=O)N3CC(=O)Nc4ccccc4C3)cnc21.
What is the InChIKey of 4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is OJFFWUVMSLRFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-5-4-8-22-15(9-19-17(12)22)18(24)21-10-13-6-2-3-7-14(13)20-16(23)11-21/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3,(H,20,23).
What are the key properties of 4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 324.38 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 166302964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).