3,7-dimethyl-5,6,8,9-tetrahydroimidazo[4,5-h][3]benzazepine

C13H17N3 — CID 46873423

IUPAC3,7-dimethyl-5,6,8,9-tetrahydroimidazo[4,5-h][3]benzazepine
SMILESCN1CCc2cc3ncn(C)c3cc2CC1
InChIInChI=1S/C13H17N3/c1-15-5-3-10-7-12-13(16(2)9-14-12)8-11(10)4-6-15/h7-9H,3-6H2,1-2H3
InChIKeyBBHOILLJMJDPKF-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.60
Rot. Bonds

About 3,7-dimethyl-5,6,8,9-tetrahydroimidazo[4,5-h][3]benzazepine

3,7-dimethyl-5,6,8,9-tetrahydroimidazo[4,5-h][3]benzazepine (PubChem CID 46873423) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3,7-dimethyl-5,6,8,9-tetrahydroimidazo[4,5-h][3]benzazepine.

Molecular Properties

Compound Name3,7-dimethyl-5,6,8,9-tetrahydroimidazo[4,5-h][3]benzazepine
PubChem CID46873423
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3,7-dimethyl-5,6,8,9-tetrahydroimidazo[4,5-h][3]benzazepine
SMILESCN1CCc2cc3ncn(C)c3cc2CC1
InChIInChI=1S/C13H17N3/c1-15-5-3-10-7-12-13(16(2)9-14-12)8-11(10)4-6-15/h7-9H,3-6H2,1-2H3
InChIKeyBBHOILLJMJDPKF-UHFFFAOYSA-N
XLogP1.60
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-5,6,8,9-tetrahydroimidazo[4,5-h][3]benzazepine?
The IUPAC name of 3,7-dimethyl-5,6,8,9-tetrahydroimidazo[4,5-h][3]benzazepine (CID 46873423) is 3,7-dimethyl-5,6,8,9-tetrahydroimidazo[4,5-h][3]benzazepine.
What is the SMILES notation for 3,7-dimethyl-5,6,8,9-tetrahydroimidazo[4,5-h][3]benzazepine?
The canonical SMILES for 3,7-dimethyl-5,6,8,9-tetrahydroimidazo[4,5-h][3]benzazepine is CN1CCc2cc3ncn(C)c3cc2CC1.
What is the InChIKey of 3,7-dimethyl-5,6,8,9-tetrahydroimidazo[4,5-h][3]benzazepine?
The InChIKey is BBHOILLJMJDPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-15-5-3-10-7-12-13(16(2)9-14-12)8-11(10)4-6-15/h7-9H,3-6H2,1-2H3.
What are the key properties of 3,7-dimethyl-5,6,8,9-tetrahydroimidazo[4,5-h][3]benzazepine?
3,7-dimethyl-5,6,8,9-tetrahydroimidazo[4,5-h][3]benzazepine has a molecular weight of 215.30 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-5,6,8,9-tetrahydroimidazo[4,5-h][3]benzazepine is sourced from PubChem (CID 46873423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).