3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine

C14H15ClN2 — CID 3361257

IUPAC3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine
SMILESClc1ccc(-c2cnc3n2CCCCC3)cc1
InChIInChI=1S/C14H15ClN2/c15-12-7-5-11(6-8-12)13-10-16-14-4-2-1-3-9-17(13)14/h5-8,10H,1-4,9H2
InChIKeyVMWPHBAIOWWYLP-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.93
Rot. Bonds1

About 3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine

3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine (PubChem CID 3361257) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine
PubChem CID3361257
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine
SMILESClc1ccc(-c2cnc3n2CCCCC3)cc1
InChIInChI=1S/C14H15ClN2/c15-12-7-5-11(6-8-12)13-10-16-14-4-2-1-3-9-17(13)14/h5-8,10H,1-4,9H2
InChIKeyVMWPHBAIOWWYLP-UHFFFAOYSA-N
XLogP3.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine?
The IUPAC name of 3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine (CID 3361257) is 3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine.
What is the SMILES notation for 3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine?
The canonical SMILES for 3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine is Clc1ccc(-c2cnc3n2CCCCC3)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine?
The InChIKey is VMWPHBAIOWWYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c15-12-7-5-11(6-8-12)13-10-16-14-4-2-1-3-9-17(13)14/h5-8,10H,1-4,9H2.
What are the key properties of 3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine?
3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine has a molecular weight of 246.74 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine is sourced from PubChem (CID 3361257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).