5-(1H-indol-3-yl)-2,3-dihydro-1H-1,4-benzodiazepine

C17H15N3 — CID 27783

IUPAC5-(1H-indol-3-yl)-2,3-dihydro-1H-1,4-benzodiazepine
SMILESc1ccc2c(c1)NCCN=C2c1c[nH]c2ccccc12
InChIInChI=1S/C17H15N3/c1-3-7-15-12(5-1)14(11-20-15)17-13-6-2-4-8-16(13)18-9-10-19-17/h1-8,11,18,20H,9-10H2
InChIKeyNKGNYANHMDCHRL-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.43
Rot. Bonds1

About 5-(1H-indol-3-yl)-2,3-dihydro-1H-1,4-benzodiazepine

5-(1H-indol-3-yl)-2,3-dihydro-1H-1,4-benzodiazepine (PubChem CID 27783) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-2,3-dihydro-1H-1,4-benzodiazepine.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-2,3-dihydro-1H-1,4-benzodiazepine
PubChem CID27783
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name5-(1H-indol-3-yl)-2,3-dihydro-1H-1,4-benzodiazepine
SMILESc1ccc2c(c1)NCCN=C2c1c[nH]c2ccccc12
InChIInChI=1S/C17H15N3/c1-3-7-15-12(5-1)14(11-20-15)17-13-6-2-4-8-16(13)18-9-10-19-17/h1-8,11,18,20H,9-10H2
InChIKeyNKGNYANHMDCHRL-UHFFFAOYSA-N
XLogP3.43
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-pyridin-4-yl-1H-indole
CID 159430533
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
3-[(4R)-4-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole
CID 137097329
2-(1H-indol-3-yl)aniline
CID 25210227
1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine
CID 174403598
methane;3-phenyl-1H-indole
CID 167711687
1-[2-(1H-indol-3-yl)phenyl]propan-1-one
CID 174611519
3-(4H-azepin-7-yl)-1H-indole
CID 136657894
6-(1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900685
3-(8-fluoro-2H-chromen-4-yl)-1H-indole
CID 141330389
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-2,3-dihydro-1H-1,4-benzodiazepine?
The IUPAC name of 5-(1H-indol-3-yl)-2,3-dihydro-1H-1,4-benzodiazepine (CID 27783) is 5-(1H-indol-3-yl)-2,3-dihydro-1H-1,4-benzodiazepine.
What is the SMILES notation for 5-(1H-indol-3-yl)-2,3-dihydro-1H-1,4-benzodiazepine?
The canonical SMILES for 5-(1H-indol-3-yl)-2,3-dihydro-1H-1,4-benzodiazepine is c1ccc2c(c1)NCCN=C2c1c[nH]c2ccccc12.
What is the InChIKey of 5-(1H-indol-3-yl)-2,3-dihydro-1H-1,4-benzodiazepine?
The InChIKey is NKGNYANHMDCHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-3-7-15-12(5-1)14(11-20-15)17-13-6-2-4-8-16(13)18-9-10-19-17/h1-8,11,18,20H,9-10H2.
What are the key properties of 5-(1H-indol-3-yl)-2,3-dihydro-1H-1,4-benzodiazepine?
5-(1H-indol-3-yl)-2,3-dihydro-1H-1,4-benzodiazepine has a molecular weight of 261.33 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-2,3-dihydro-1H-1,4-benzodiazepine is sourced from PubChem (CID 27783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).