5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6,11-dihydrobenzo[c][1]benzazepine;hydrochloride

C18H20ClN3 — CID 156596545

IUPAC5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6,11-dihydrobenzo[c][1]benzazepine;hydrochloride
SMILESCl.c1ccc2c(c1)Cc1ccccc1N(CC1=NCCN1)C2
InChIInChI=1S/C18H19N3.ClH/c1-2-7-16-12-21(13-18-19-9-10-20-18)17-8-4-3-6-15(17)11-14(16)5-1;/h1-8H,9-13H2,(H,19,20);1H
InChIKeyGWOKVMXHEQHVIJ-UHFFFAOYSA-N
MW313.83 g/mol
LogP3.02
Rot. Bonds2

About 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6,11-dihydrobenzo[c][1]benzazepine;hydrochloride

5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6,11-dihydrobenzo[c][1]benzazepine;hydrochloride (PubChem CID 156596545) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6,11-dihydrobenzo[c][1]benzazepine;hydrochloride.

Molecular Properties

Compound Name5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6,11-dihydrobenzo[c][1]benzazepine;hydrochloride
PubChem CID156596545
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC Name5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6,11-dihydrobenzo[c][1]benzazepine;hydrochloride
SMILESCl.c1ccc2c(c1)Cc1ccccc1N(CC1=NCCN1)C2
InChIInChI=1S/C18H19N3.ClH/c1-2-7-16-12-21(13-18-19-9-10-20-18)17-8-4-3-6-15(17)11-14(16)5-1;/h1-8H,9-13H2,(H,19,20);1H
InChIKeyGWOKVMXHEQHVIJ-UHFFFAOYSA-N
XLogP3.02
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6,11-dihydrobenzo[c][1]benzazepine;hydrochloride?
The IUPAC name of 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6,11-dihydrobenzo[c][1]benzazepine;hydrochloride (CID 156596545) is 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6,11-dihydrobenzo[c][1]benzazepine;hydrochloride.
What is the SMILES notation for 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6,11-dihydrobenzo[c][1]benzazepine;hydrochloride?
The canonical SMILES for 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6,11-dihydrobenzo[c][1]benzazepine;hydrochloride is Cl.c1ccc2c(c1)Cc1ccccc1N(CC1=NCCN1)C2.
What is the InChIKey of 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6,11-dihydrobenzo[c][1]benzazepine;hydrochloride?
The InChIKey is GWOKVMXHEQHVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3.ClH/c1-2-7-16-12-21(13-18-19-9-10-20-18)17-8-4-3-6-15(17)11-14(16)5-1;/h1-8H,9-13H2,(H,19,20);1H.
What are the key properties of 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6,11-dihydrobenzo[c][1]benzazepine;hydrochloride?
5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6,11-dihydrobenzo[c][1]benzazepine;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6,11-dihydrobenzo[c][1]benzazepine;hydrochloride is sourced from PubChem (CID 156596545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).