5-methyl-4-methylidene-9-(2-methyl-3-pyridinyl)-6H-imidazo[1,2-a][1,4]benzodiazepine

C19H18N4 — CID 163653985

IUPAC5-methyl-4-methylidene-9-(2-methyl-3-pyridinyl)-6H-imidazo[1,2-a][1,4]benzodiazepine
SMILESC=C1c2nccn2-c2cc(-c3cccnc3C)ccc2CN1C
InChIInChI=1S/C19H18N4/c1-13-17(5-4-8-20-13)15-6-7-16-12-22(3)14(2)19-21-9-10-23(19)18(16)11-15/h4-11H,2,12H2,1,3H3
InChIKeyIOPPNXKWFWGLKO-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.66
Rot. Bonds1

About 5-methyl-4-methylidene-9-(2-methyl-3-pyridinyl)-6H-imidazo[1,2-a][1,4]benzodiazepine

5-methyl-4-methylidene-9-(2-methyl-3-pyridinyl)-6H-imidazo[1,2-a][1,4]benzodiazepine (PubChem CID 163653985) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-methyl-4-methylidene-9-(2-methyl-3-pyridinyl)-6H-imidazo[1,2-a][1,4]benzodiazepine.

Molecular Properties

Compound Name5-methyl-4-methylidene-9-(2-methyl-3-pyridinyl)-6H-imidazo[1,2-a][1,4]benzodiazepine
PubChem CID163653985
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name5-methyl-4-methylidene-9-(2-methyl-3-pyridinyl)-6H-imidazo[1,2-a][1,4]benzodiazepine
SMILESC=C1c2nccn2-c2cc(-c3cccnc3C)ccc2CN1C
InChIInChI=1S/C19H18N4/c1-13-17(5-4-8-20-13)15-6-7-16-12-22(3)14(2)19-21-9-10-23(19)18(16)11-15/h4-11H,2,12H2,1,3H3
InChIKeyIOPPNXKWFWGLKO-UHFFFAOYSA-N
XLogP3.66
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-4-methylidene-9-(2-methyl-3-pyridinyl)-6H-imidazo[1,2-a][1,4]benzodiazepine with MolForge

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Related Compounds

2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one
CID 142469559
2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde
CID 146405666
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
CID 122202103
2-methyl-3-(4-phenylphenyl)pyridine
CID 90167639
3-(4-chloro-3-fluorophenyl)-2-methylpyridine
CID 90167635
5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-phenylspiro[cyclopropane-1,6'-imidazo[1,2-a][1,4]benzodiazepine]-4'-one
CID 129117022
5'-methyl-2'-(2-methylpyrazol-3-yl)-9'-(2-methyl-3-pyridinyl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one
CID 129140815
3-(3,5-dichlorophenyl)-2-methylpyridine
CID 90167646
2-methyl-6-(2-methyl-3-pyridinyl)quinoline
CID 90167611
5-ethyl-7-(2-fluoro-3-pyridinyl)-1,4-dihydropyrazolo[4,5-c]quinoline
CID 141318171
3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine
CID 90162747
N,N'-diamino-2-methyl-N-[6-[5-(2-methyl-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]-2-pyridinyl]propanimidamide
CID 142538008

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylidene-9-(2-methyl-3-pyridinyl)-6H-imidazo[1,2-a][1,4]benzodiazepine?
The IUPAC name of 5-methyl-4-methylidene-9-(2-methyl-3-pyridinyl)-6H-imidazo[1,2-a][1,4]benzodiazepine (CID 163653985) is 5-methyl-4-methylidene-9-(2-methyl-3-pyridinyl)-6H-imidazo[1,2-a][1,4]benzodiazepine.
What is the SMILES notation for 5-methyl-4-methylidene-9-(2-methyl-3-pyridinyl)-6H-imidazo[1,2-a][1,4]benzodiazepine?
The canonical SMILES for 5-methyl-4-methylidene-9-(2-methyl-3-pyridinyl)-6H-imidazo[1,2-a][1,4]benzodiazepine is C=C1c2nccn2-c2cc(-c3cccnc3C)ccc2CN1C.
What is the InChIKey of 5-methyl-4-methylidene-9-(2-methyl-3-pyridinyl)-6H-imidazo[1,2-a][1,4]benzodiazepine?
The InChIKey is IOPPNXKWFWGLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-13-17(5-4-8-20-13)15-6-7-16-12-22(3)14(2)19-21-9-10-23(19)18(16)11-15/h4-11H,2,12H2,1,3H3.
What are the key properties of 5-methyl-4-methylidene-9-(2-methyl-3-pyridinyl)-6H-imidazo[1,2-a][1,4]benzodiazepine?
5-methyl-4-methylidene-9-(2-methyl-3-pyridinyl)-6H-imidazo[1,2-a][1,4]benzodiazepine has a molecular weight of 302.38 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylidene-9-(2-methyl-3-pyridinyl)-6H-imidazo[1,2-a][1,4]benzodiazepine is sourced from PubChem (CID 163653985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).