(9S)-2-methyl-9-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine

C14H17N3 — CID 165460607

IUPAC(9S)-2-methyl-9-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine
SMILESCc1cn2c(n1)[C@H](c1ccccc1)NCCC2
InChIInChI=1S/C14H17N3/c1-11-10-17-9-5-8-15-13(14(17)16-11)12-6-3-2-4-7-12/h2-4,6-7,10,13,15H,5,8-9H2,1H3/t13-/m0/s1
InChIKeyRUQNBBJUCBFONX-ZDUSSCGKSA-N
MW227.31 g/mol
LogP2.27
Rot. Bonds1

About (9S)-2-methyl-9-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine

(9S)-2-methyl-9-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine (PubChem CID 165460607) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (9S)-2-methyl-9-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine.

Molecular Properties

Compound Name(9S)-2-methyl-9-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine
PubChem CID165460607
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(9S)-2-methyl-9-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine
SMILESCc1cn2c(n1)[C@H](c1ccccc1)NCCC2
InChIInChI=1S/C14H17N3/c1-11-10-17-9-5-8-15-13(14(17)16-11)12-6-3-2-4-7-12/h2-4,6-7,10,13,15H,5,8-9H2,1H3/t13-/m0/s1
InChIKeyRUQNBBJUCBFONX-ZDUSSCGKSA-N
XLogP2.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9S)-2-methyl-9-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (9S)-2-methyl-9-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine?
The IUPAC name of (9S)-2-methyl-9-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine (CID 165460607) is (9S)-2-methyl-9-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine.
What is the SMILES notation for (9S)-2-methyl-9-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine?
The canonical SMILES for (9S)-2-methyl-9-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine is Cc1cn2c(n1)[C@H](c1ccccc1)NCCC2.
What is the InChIKey of (9S)-2-methyl-9-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine?
The InChIKey is RUQNBBJUCBFONX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-10-17-9-5-8-15-13(14(17)16-11)12-6-3-2-4-7-12/h2-4,6-7,10,13,15H,5,8-9H2,1H3/t13-/m0/s1.
What are the key properties of (9S)-2-methyl-9-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine?
(9S)-2-methyl-9-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine has a molecular weight of 227.31 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-2-methyl-9-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine is sourced from PubChem (CID 165460607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).