(4R)-4-methyl-6-(1-methyl-2,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

C19H21N3O — CID 121278056

IUPAC(4R)-4-methyl-6-(1-methyl-2,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)CCN4C)c2N1
InChIInChI=1S/C19H21N3O/c1-12-10-18(23)21-16-5-3-4-15(19(16)20-12)13-6-7-17-14(11-13)8-9-22(17)2/h3-7,11-12,20H,8-10H2,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyBIHAARBPARAWEH-GFCCVEGCSA-N
MW307.40 g/mol
LogP3.49
Rot. Bonds1

About (4R)-4-methyl-6-(1-methyl-2,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

(4R)-4-methyl-6-(1-methyl-2,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 121278056) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (4R)-4-methyl-6-(1-methyl-2,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-6-(1-methyl-2,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
PubChem CID121278056
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(4R)-4-methyl-6-(1-methyl-2,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)CCN4C)c2N1
InChIInChI=1S/C19H21N3O/c1-12-10-18(23)21-16-5-3-4-15(19(16)20-12)13-6-7-17-14(11-13)8-9-22(17)2/h3-7,11-12,20H,8-10H2,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyBIHAARBPARAWEH-GFCCVEGCSA-N
XLogP3.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2862158
4,7,8-Trimethyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CID 248471
N-(3,5-dimethylphenyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxamide
CID 2814468
7-methyl-4-(3-methylbutanoyl)-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
CID 3441788
8-Dipropylamino-1,3,6,7,8,9-hexahydro-benzo[e]indol-2-one
CID 10016864
N-(1-butyl-4,6-dimethylindolin-7-yl)pivalamide
CID 10545022
N-(4,6-dimethyl-1-propylindolin-7-yl)pivalamide
CID 19606382
1-[5-[2-(Piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]butan-1-one
CID 132240698
7-Methyl-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
CID 646177
Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-6-cyclohexyl-7-(3-(dimethylamino)-1-oxopropyl)-, monohydrochloride
CID 3057655
Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-6-methyl-7-((methylamino)acetyl)-
CID 3057657
Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,6,7-tetrahydro-7-(4-(dimethylamino)-1-oxobutyl)-6-methyl-, monohydrochloride
CID 3057658

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-6-(1-methyl-2,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The IUPAC name of (4R)-4-methyl-6-(1-methyl-2,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 121278056) is (4R)-4-methyl-6-(1-methyl-2,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for (4R)-4-methyl-6-(1-methyl-2,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The canonical SMILES for (4R)-4-methyl-6-(1-methyl-2,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)CCN4C)c2N1.
What is the InChIKey of (4R)-4-methyl-6-(1-methyl-2,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The InChIKey is BIHAARBPARAWEH-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21N3O/c1-12-10-18(23)21-16-5-3-4-15(19(16)20-12)13-6-7-17-14(11-13)8-9-22(17)2/h3-7,11-12,20H,8-10H2,1-2H3,(H,21,23)/t12-/m1/s1.
What are the key properties of (4R)-4-methyl-6-(1-methyl-2,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
(4R)-4-methyl-6-(1-methyl-2,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 307.40 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-6-(1-methyl-2,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 121278056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).