(4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone

C16H20N4O — CID 78795753

IUPAC(4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone
SMILESCN1CCCN(C(=O)c2cncn2-c2ccccc2)CC1
InChIInChI=1S/C16H20N4O/c1-18-8-5-9-19(11-10-18)16(21)15-12-17-13-20(15)14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3
InChIKeyJQLRLTYNVGXODP-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.65
Rot. Bonds2

About (4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone

(4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone (PubChem CID 78795753) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone
PubChem CID78795753
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone
SMILESCN1CCCN(C(=O)c2cncn2-c2ccccc2)CC1
InChIInChI=1S/C16H20N4O/c1-18-8-5-9-19(11-10-18)16(21)15-12-17-13-20(15)14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3
InChIKeyJQLRLTYNVGXODP-UHFFFAOYSA-N
XLogP1.65
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(3-phenylimidazol-4-yl)methanone
CID 60653934
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CID 78797284
(4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 51252246
[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286851
[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 95606856
[4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 17471508
(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
(3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 62916077
2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
CID 134014592
(3-phenylimidazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 25466506
3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide
CID 37294346

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone?
The IUPAC name of (4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone (CID 78795753) is (4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone.
What is the SMILES notation for (4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone?
The canonical SMILES for (4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone is CN1CCCN(C(=O)c2cncn2-c2ccccc2)CC1.
What is the InChIKey of (4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone?
The InChIKey is JQLRLTYNVGXODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-18-8-5-9-19(11-10-18)16(21)15-12-17-13-20(15)14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3.
What are the key properties of (4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone?
(4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone is sourced from PubChem (CID 78795753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).