(6S)-6,7-dimethyl-5-(1-methylindol-2-yl)-6H-benzo[d][1,3]benzodiazepine

C24H23N3 — CID 137454883

IUPAC(6S)-6,7-dimethyl-5-(1-methylindol-2-yl)-6H-benzo[d][1,3]benzodiazepine
SMILESC[C@H]1N(C)c2ccccc2-c2ccccc2N1c1cc2ccccc2n1C
InChIInChI=1S/C24H23N3/c1-17-25(2)22-14-8-5-11-19(22)20-12-6-9-15-23(20)27(17)24-16-18-10-4-7-13-21(18)26(24)3/h4-17H,1-3H3/t17-/m0/s1
InChIKeyUWPUEBMTYJGPMQ-KRWDZBQOSA-N
MW353.47 g/mol
LogP5.78
Rot. Bonds1

About (6S)-6,7-dimethyl-5-(1-methylindol-2-yl)-6H-benzo[d][1,3]benzodiazepine

(6S)-6,7-dimethyl-5-(1-methylindol-2-yl)-6H-benzo[d][1,3]benzodiazepine (PubChem CID 137454883) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is (6S)-6,7-dimethyl-5-(1-methylindol-2-yl)-6H-benzo[d][1,3]benzodiazepine.

Molecular Properties

Compound Name(6S)-6,7-dimethyl-5-(1-methylindol-2-yl)-6H-benzo[d][1,3]benzodiazepine
PubChem CID137454883
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name(6S)-6,7-dimethyl-5-(1-methylindol-2-yl)-6H-benzo[d][1,3]benzodiazepine
SMILESC[C@H]1N(C)c2ccccc2-c2ccccc2N1c1cc2ccccc2n1C
InChIInChI=1S/C24H23N3/c1-17-25(2)22-14-8-5-11-19(22)20-12-6-9-15-23(20)27(17)24-16-18-10-4-7-13-21(18)26(24)3/h4-17H,1-3H3/t17-/m0/s1
InChIKeyUWPUEBMTYJGPMQ-KRWDZBQOSA-N
XLogP5.78
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-2,3-dimethyl-1,3-diazepan-1-yl]-1-methylindole
CID 137454881
2,6-dimethyl-5-[2-[(2S)-2-methyl-3-(1-methylindol-2-yl)-2H-benzimidazol-1-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 138486965
CID 175336040
CID 175336040
1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole
CID 162295453
2-(2-bromophenyl)-1-methylindole
CID 127263547
1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole
CID 166657827
(2R)-1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole
CID 58240298
N-[(1-methylindol-2-yl)methyl]hydroxylamine
CID 82653727
2-[bis(phenylsulfanyl)methyl]-1-methylindole
CID 15175184
N,1-dimethylindol-2-amine
CID 11744928
benzene;1-methyl-2-phenylindole
CID 158316839
(10R)-10-methyl-9-(1-methylindol-2-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 137454887

Frequently Asked Questions

What is the IUPAC name of (6S)-6,7-dimethyl-5-(1-methylindol-2-yl)-6H-benzo[d][1,3]benzodiazepine?
The IUPAC name of (6S)-6,7-dimethyl-5-(1-methylindol-2-yl)-6H-benzo[d][1,3]benzodiazepine (CID 137454883) is (6S)-6,7-dimethyl-5-(1-methylindol-2-yl)-6H-benzo[d][1,3]benzodiazepine.
What is the SMILES notation for (6S)-6,7-dimethyl-5-(1-methylindol-2-yl)-6H-benzo[d][1,3]benzodiazepine?
The canonical SMILES for (6S)-6,7-dimethyl-5-(1-methylindol-2-yl)-6H-benzo[d][1,3]benzodiazepine is C[C@H]1N(C)c2ccccc2-c2ccccc2N1c1cc2ccccc2n1C.
What is the InChIKey of (6S)-6,7-dimethyl-5-(1-methylindol-2-yl)-6H-benzo[d][1,3]benzodiazepine?
The InChIKey is UWPUEBMTYJGPMQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23N3/c1-17-25(2)22-14-8-5-11-19(22)20-12-6-9-15-23(20)27(17)24-16-18-10-4-7-13-21(18)26(24)3/h4-17H,1-3H3/t17-/m0/s1.
What are the key properties of (6S)-6,7-dimethyl-5-(1-methylindol-2-yl)-6H-benzo[d][1,3]benzodiazepine?
(6S)-6,7-dimethyl-5-(1-methylindol-2-yl)-6H-benzo[d][1,3]benzodiazepine has a molecular weight of 353.47 g/mol, XLogP of 5.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6,7-dimethyl-5-(1-methylindol-2-yl)-6H-benzo[d][1,3]benzodiazepine is sourced from PubChem (CID 137454883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).