azepan-1-yl-(3-phenylimidazol-4-yl)methanone

C16H19N3O — CID 60653934

IUPACazepan-1-yl-(3-phenylimidazol-4-yl)methanone
SMILESO=C(c1cncn1-c1ccccc1)N1CCCCCC1
InChIInChI=1S/C16H19N3O/c20-16(18-10-6-1-2-7-11-18)15-12-17-13-19(15)14-8-4-3-5-9-14/h3-5,8-9,12-13H,1-2,6-7,10-11H2
InChIKeyXAMWPNCKBZRGKU-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.89
Rot. Bonds2

About azepan-1-yl-(3-phenylimidazol-4-yl)methanone

azepan-1-yl-(3-phenylimidazol-4-yl)methanone (PubChem CID 60653934) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is azepan-1-yl-(3-phenylimidazol-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(3-phenylimidazol-4-yl)methanone
PubChem CID60653934
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Nameazepan-1-yl-(3-phenylimidazol-4-yl)methanone
SMILESO=C(c1cncn1-c1ccccc1)N1CCCCCC1
InChIInChI=1S/C16H19N3O/c20-16(18-10-6-1-2-7-11-18)15-12-17-13-19(15)14-8-4-3-5-9-14/h3-5,8-9,12-13H,1-2,6-7,10-11H2
InChIKeyXAMWPNCKBZRGKU-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-(3-phenylimidazol-4-yl)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

[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286851
(4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78795753
(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78797284
(4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 51252246
3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide
CID 37294346
(3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 62916077
[4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 17471508
[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 95606856
(3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124695532
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 124691893
1-[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 56816830
(3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 31415200

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(3-phenylimidazol-4-yl)methanone?
The IUPAC name of azepan-1-yl-(3-phenylimidazol-4-yl)methanone (CID 60653934) is azepan-1-yl-(3-phenylimidazol-4-yl)methanone.
What is the SMILES notation for azepan-1-yl-(3-phenylimidazol-4-yl)methanone?
The canonical SMILES for azepan-1-yl-(3-phenylimidazol-4-yl)methanone is O=C(c1cncn1-c1ccccc1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(3-phenylimidazol-4-yl)methanone?
The InChIKey is XAMWPNCKBZRGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(18-10-6-1-2-7-11-18)15-12-17-13-19(15)14-8-4-3-5-9-14/h3-5,8-9,12-13H,1-2,6-7,10-11H2.
What are the key properties of azepan-1-yl-(3-phenylimidazol-4-yl)methanone?
azepan-1-yl-(3-phenylimidazol-4-yl)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-(3-phenylimidazol-4-yl)methanone is sourced from PubChem (CID 60653934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).