1-phenyl-6-prop-1-en-2-yl-8,9-dihydro-5H-imidazo[1,5-a]azepine

C17H18N2 — CID 86090524

IUPAC1-phenyl-6-prop-1-en-2-yl-8,9-dihydro-5H-imidazo[1,5-a]azepine
SMILESC=C(C)C1=CCCc2c(-c3ccccc3)ncn2C1
InChIInChI=1S/C17H18N2/c1-13(2)15-9-6-10-16-17(18-12-19(16)11-15)14-7-4-3-5-8-14/h3-5,7-9,12H,1,6,10-11H2,2H3
InChIKeyZICKIBKASMPMNN-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.00
Rot. Bonds2

About 1-phenyl-6-prop-1-en-2-yl-8,9-dihydro-5H-imidazo[1,5-a]azepine

1-phenyl-6-prop-1-en-2-yl-8,9-dihydro-5H-imidazo[1,5-a]azepine (PubChem CID 86090524) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-phenyl-6-prop-1-en-2-yl-8,9-dihydro-5H-imidazo[1,5-a]azepine.

Molecular Properties

Compound Name1-phenyl-6-prop-1-en-2-yl-8,9-dihydro-5H-imidazo[1,5-a]azepine
PubChem CID86090524
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name1-phenyl-6-prop-1-en-2-yl-8,9-dihydro-5H-imidazo[1,5-a]azepine
SMILESC=C(C)C1=CCCc2c(-c3ccccc3)ncn2C1
InChIInChI=1S/C17H18N2/c1-13(2)15-9-6-10-16-17(18-12-19(16)11-15)14-7-4-3-5-8-14/h3-5,7-9,12H,1,6,10-11H2,2H3
InChIKeyZICKIBKASMPMNN-UHFFFAOYSA-N
XLogP4.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-prop-1-en-2-yl-8,9-dihydro-5H-imidazo[1,5-a]azepine?
The IUPAC name of 1-phenyl-6-prop-1-en-2-yl-8,9-dihydro-5H-imidazo[1,5-a]azepine (CID 86090524) is 1-phenyl-6-prop-1-en-2-yl-8,9-dihydro-5H-imidazo[1,5-a]azepine.
What is the SMILES notation for 1-phenyl-6-prop-1-en-2-yl-8,9-dihydro-5H-imidazo[1,5-a]azepine?
The canonical SMILES for 1-phenyl-6-prop-1-en-2-yl-8,9-dihydro-5H-imidazo[1,5-a]azepine is C=C(C)C1=CCCc2c(-c3ccccc3)ncn2C1.
What is the InChIKey of 1-phenyl-6-prop-1-en-2-yl-8,9-dihydro-5H-imidazo[1,5-a]azepine?
The InChIKey is ZICKIBKASMPMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-13(2)15-9-6-10-16-17(18-12-19(16)11-15)14-7-4-3-5-8-14/h3-5,7-9,12H,1,6,10-11H2,2H3.
What are the key properties of 1-phenyl-6-prop-1-en-2-yl-8,9-dihydro-5H-imidazo[1,5-a]azepine?
1-phenyl-6-prop-1-en-2-yl-8,9-dihydro-5H-imidazo[1,5-a]azepine has a molecular weight of 250.34 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6-prop-1-en-2-yl-8,9-dihydro-5H-imidazo[1,5-a]azepine is sourced from PubChem (CID 86090524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).