2-phenyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepine

C14H18N2 — CID 13320887

IUPAC2-phenyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepine
SMILESc1ccc(C2CN3CCCCCC3=N2)cc1
InChIInChI=1S/C14H18N2/c1-3-7-12(8-4-1)13-11-16-10-6-2-5-9-14(16)15-13/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyWBXNCVNMXBMEMQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.02
Rot. Bonds1

About 2-phenyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepine

2-phenyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepine (PubChem CID 13320887) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-phenyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepine.

Molecular Properties

Compound Name2-phenyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepine
PubChem CID13320887
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-phenyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepine
SMILESc1ccc(C2CN3CCCCCC3=N2)cc1
InChIInChI=1S/C14H18N2/c1-3-7-12(8-4-1)13-11-16-10-6-2-5-9-14(16)15-13/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyWBXNCVNMXBMEMQ-UHFFFAOYSA-N
XLogP3.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole
CID 23310773
3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-2-amine
CID 154977050
3-phenyl-3,5,6,7,8,9-hexahydro-2H-[1,2,4]triazolo[4,3-a]azepine
CID 66489678
2-methyl-1,4-diphenyl-4,5-dihydroimidazole
CID 101472068
3-phenyl-2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 66489683
6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;trioxochromium
CID 10881248
3-(azepan-1-yl)-5-phenyl-4,5-dihydro-1,2-oxazole
CID 58126474
8-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridine
CID 13389115
2-(azepan-1-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
CID 21392987
6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 10241903
2-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 45259666
12-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 67836549

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepine?
The IUPAC name of 2-phenyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepine (CID 13320887) is 2-phenyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepine.
What is the SMILES notation for 2-phenyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepine?
The canonical SMILES for 2-phenyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepine is c1ccc(C2CN3CCCCCC3=N2)cc1.
What is the InChIKey of 2-phenyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepine?
The InChIKey is WBXNCVNMXBMEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-7-12(8-4-1)13-11-16-10-6-2-5-9-14(16)15-13/h1,3-4,7-8,13H,2,5-6,9-11H2.
What are the key properties of 2-phenyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepine?
2-phenyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepine has a molecular weight of 214.31 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepine is sourced from PubChem (CID 13320887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).