2-pyridin-2-yl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine

C16H14N4 — CID 22062972

IUPAC2-pyridin-2-yl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine
SMILESc1ccc(-c2nc3c([nH]2)CCNc2ccccc2-3)nc1
InChIInChI=1S/C16H14N4/c1-2-6-12-11(5-1)15-13(8-10-18-12)19-16(20-15)14-7-3-4-9-17-14/h1-7,9,18H,8,10H2,(H,19,20)
InChIKeyYXCRUZKYTRCNID-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.11
Rot. Bonds1

About 2-pyridin-2-yl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine

2-pyridin-2-yl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine (PubChem CID 22062972) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-pyridin-2-yl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine.

Molecular Properties

Compound Name2-pyridin-2-yl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine
PubChem CID22062972
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-pyridin-2-yl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine
SMILESc1ccc(-c2nc3c([nH]2)CCNc2ccccc2-3)nc1
InChIInChI=1S/C16H14N4/c1-2-6-12-11(5-1)15-13(8-10-18-12)19-16(20-15)14-7-3-4-9-17-14/h1-7,9,18H,8,10H2,(H,19,20)
InChIKeyYXCRUZKYTRCNID-UHFFFAOYSA-N
XLogP3.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

13-fluoro-4-pyridin-2-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
CID 22934131
2-[4-(2-hydroxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]phenol
CID 135859941
2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine
CID 83647798
CID 176706705
CID 176706705
7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 72925991
5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione
CID 500949
5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine
CID 96619257
2-[4,5-bis[4-(1,2,2-triphenylethenyl)phenyl]-1H-imidazol-2-yl]pyridine
CID 162716933
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
N-[3-fluoro-4-(2-pyridin-2-yl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
CID 10483319
copper;palladium;2-pyridin-2-yl-1H-benzimidazole
CID 174748574
2-[4-(3,5-dichlorophenyl)-5-phenyl-1H-imidazol-2-yl]pyridine
CID 150454415

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine?
The IUPAC name of 2-pyridin-2-yl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine (CID 22062972) is 2-pyridin-2-yl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine.
What is the SMILES notation for 2-pyridin-2-yl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine?
The canonical SMILES for 2-pyridin-2-yl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine is c1ccc(-c2nc3c([nH]2)CCNc2ccccc2-3)nc1.
What is the InChIKey of 2-pyridin-2-yl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine?
The InChIKey is YXCRUZKYTRCNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-2-6-12-11(5-1)15-13(8-10-18-12)19-16(20-15)14-7-3-4-9-17-14/h1-7,9,18H,8,10H2,(H,19,20).
What are the key properties of 2-pyridin-2-yl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine?
2-pyridin-2-yl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine has a molecular weight of 262.32 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine is sourced from PubChem (CID 22062972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).