azepan-1-yl-(4-imidazol-1-ylphenyl)methanone

C16H19N3O — CID 110464231

IUPACazepan-1-yl-(4-imidazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2ccnc2)cc1)N1CCCCCC1
InChIInChI=1S/C16H19N3O/c20-16(18-10-3-1-2-4-11-18)14-5-7-15(8-6-14)19-12-9-17-13-19/h5-9,12-13H,1-4,10-11H2
InChIKeyOHMPHWOJMFYABE-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.89
Rot. Bonds2

About azepan-1-yl-(4-imidazol-1-ylphenyl)methanone

azepan-1-yl-(4-imidazol-1-ylphenyl)methanone (PubChem CID 110464231) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is azepan-1-yl-(4-imidazol-1-ylphenyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(4-imidazol-1-ylphenyl)methanone
PubChem CID110464231
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Nameazepan-1-yl-(4-imidazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2ccnc2)cc1)N1CCCCCC1
InChIInChI=1S/C16H19N3O/c20-16(18-10-3-1-2-4-11-18)14-5-7-15(8-6-14)19-12-9-17-13-19/h5-9,12-13H,1-4,10-11H2
InChIKeyOHMPHWOJMFYABE-UHFFFAOYSA-N
XLogP2.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze azepan-1-yl-(4-imidazol-1-ylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
CID 69161890
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
(4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
CID 91830346
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 47159866
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone
CID 72696904
[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 75402169
(3R)-3-(cyclopropylmethyl)-1-(4-imidazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 97118475
(4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 70777670

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(4-imidazol-1-ylphenyl)methanone?
The IUPAC name of azepan-1-yl-(4-imidazol-1-ylphenyl)methanone (CID 110464231) is azepan-1-yl-(4-imidazol-1-ylphenyl)methanone.
What is the SMILES notation for azepan-1-yl-(4-imidazol-1-ylphenyl)methanone?
The canonical SMILES for azepan-1-yl-(4-imidazol-1-ylphenyl)methanone is O=C(c1ccc(-n2ccnc2)cc1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(4-imidazol-1-ylphenyl)methanone?
The InChIKey is OHMPHWOJMFYABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(18-10-3-1-2-4-11-18)14-5-7-15(8-6-14)19-12-9-17-13-19/h5-9,12-13H,1-4,10-11H2.
What are the key properties of azepan-1-yl-(4-imidazol-1-ylphenyl)methanone?
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone has a molecular weight of 269.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(4-imidazol-1-ylphenyl)methanone is sourced from PubChem (CID 110464231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).