11-(1-methylimidazol-2-yl)-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one

C20H17N5O — CID 135924304

IUPAC11-(1-methylimidazol-2-yl)-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
SMILESCn1ccnc1C1Nc2cccc3c(=O)[nH]nc(c23)C1c1ccccc1
InChIInChI=1S/C20H17N5O/c1-25-11-10-21-19(25)18-15(12-6-3-2-4-7-12)17-16-13(20(26)24-23-17)8-5-9-14(16)22-18/h2-11,15,18,22H,1H3,(H,24,26)
InChIKeyPRMNVDYRVPGJAB-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.96
Rot. Bonds2

About 11-(1-methylimidazol-2-yl)-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one

11-(1-methylimidazol-2-yl)-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one (PubChem CID 135924304) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 11-(1-methylimidazol-2-yl)-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one.

Molecular Properties

Compound Name11-(1-methylimidazol-2-yl)-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
PubChem CID135924304
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name11-(1-methylimidazol-2-yl)-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
SMILESCn1ccnc1C1Nc2cccc3c(=O)[nH]nc(c23)C1c1ccccc1
InChIInChI=1S/C20H17N5O/c1-25-11-10-21-19(25)18-15(12-6-3-2-4-7-12)17-16-13(20(26)24-23-17)8-5-9-14(16)22-18/h2-11,15,18,22H,1H3,(H,24,26)
InChIKeyPRMNVDYRVPGJAB-UHFFFAOYSA-N
XLogP2.96
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-(1-methylimidazol-2-yl)-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
The IUPAC name of 11-(1-methylimidazol-2-yl)-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one (CID 135924304) is 11-(1-methylimidazol-2-yl)-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one.
What is the SMILES notation for 11-(1-methylimidazol-2-yl)-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
The canonical SMILES for 11-(1-methylimidazol-2-yl)-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one is Cn1ccnc1C1Nc2cccc3c(=O)[nH]nc(c23)C1c1ccccc1.
What is the InChIKey of 11-(1-methylimidazol-2-yl)-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
The InChIKey is PRMNVDYRVPGJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-25-11-10-21-19(25)18-15(12-6-3-2-4-7-12)17-16-13(20(26)24-23-17)8-5-9-14(16)22-18/h2-11,15,18,22H,1H3,(H,24,26).
What are the key properties of 11-(1-methylimidazol-2-yl)-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
11-(1-methylimidazol-2-yl)-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one has a molecular weight of 343.39 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1-methylimidazol-2-yl)-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one is sourced from PubChem (CID 135924304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).