13-(3-imidazol-1-ylpropyl)-10,13-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-11-one

C18H22N4O — CID 154759174

IUPAC13-(3-imidazol-1-ylpropyl)-10,13-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-11-one
SMILESO=C1CN(CCCn2ccnc2)C2CCCc3cccc(c32)N1
InChIInChI=1S/C18H22N4O/c23-17-12-22(10-3-9-21-11-8-19-13-21)16-7-2-5-14-4-1-6-15(20-17)18(14)16/h1,4,6,8,11,13,16H,2-3,5,7,9-10,12H2,(H,20,23)
InChIKeyPTROGJJCQLZLGJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.60
Rot. Bonds4

About 13-(3-imidazol-1-ylpropyl)-10,13-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-11-one

13-(3-imidazol-1-ylpropyl)-10,13-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-11-one (PubChem CID 154759174) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 13-(3-imidazol-1-ylpropyl)-10,13-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-11-one.

Molecular Properties

Compound Name13-(3-imidazol-1-ylpropyl)-10,13-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-11-one
PubChem CID154759174
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name13-(3-imidazol-1-ylpropyl)-10,13-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-11-one
SMILESO=C1CN(CCCn2ccnc2)C2CCCc3cccc(c32)N1
InChIInChI=1S/C18H22N4O/c23-17-12-22(10-3-9-21-11-8-19-13-21)16-7-2-5-14-4-1-6-15(20-17)18(14)16/h1,4,6,8,11,13,16H,2-3,5,7,9-10,12H2,(H,20,23)
InChIKeyPTROGJJCQLZLGJ-UHFFFAOYSA-N
XLogP2.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-1-(3-imidazol-1-ylpropyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 61494690
2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128983552
1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64881186
1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
CID 64874044
3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
CID 64881155
8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione
CID 5156407
2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid
CID 54960885
2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-ol
CID 83208473
1-(3-imidazol-1-ylpropyl)-3-propylpiperazine-2,5-dione
CID 64878857
1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid
CID 61493051
3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64880578
[2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 63948415

Frequently Asked Questions

What is the IUPAC name of 13-(3-imidazol-1-ylpropyl)-10,13-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-11-one?
The IUPAC name of 13-(3-imidazol-1-ylpropyl)-10,13-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-11-one (CID 154759174) is 13-(3-imidazol-1-ylpropyl)-10,13-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-11-one.
What is the SMILES notation for 13-(3-imidazol-1-ylpropyl)-10,13-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-11-one?
The canonical SMILES for 13-(3-imidazol-1-ylpropyl)-10,13-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-11-one is O=C1CN(CCCn2ccnc2)C2CCCc3cccc(c32)N1.
What is the InChIKey of 13-(3-imidazol-1-ylpropyl)-10,13-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-11-one?
The InChIKey is PTROGJJCQLZLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-17-12-22(10-3-9-21-11-8-19-13-21)16-7-2-5-14-4-1-6-15(20-17)18(14)16/h1,4,6,8,11,13,16H,2-3,5,7,9-10,12H2,(H,20,23).
What are the key properties of 13-(3-imidazol-1-ylpropyl)-10,13-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-11-one?
13-(3-imidazol-1-ylpropyl)-10,13-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-11-one has a molecular weight of 310.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(3-imidazol-1-ylpropyl)-10,13-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-11-one is sourced from PubChem (CID 154759174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).