2,4-bis(1,5-dimethylimidazol-4-yl)pentan-3-one

C15H22N4O — CID 174379942

IUPAC2,4-bis(1,5-dimethylimidazol-4-yl)pentan-3-one
SMILESCc1c(C(C)C(=O)C(C)c2ncn(C)c2C)ncn1C
InChIInChI=1S/C15H22N4O/c1-9(13-11(3)18(5)7-16-13)15(20)10(2)14-12(4)19(6)8-17-14/h7-10H,1-6H3
InChIKeyZBHLIJWABCIZGN-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.25
Rot. Bonds4

About 2,4-bis(1,5-dimethylimidazol-4-yl)pentan-3-one

2,4-bis(1,5-dimethylimidazol-4-yl)pentan-3-one (PubChem CID 174379942) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2,4-bis(1,5-dimethylimidazol-4-yl)pentan-3-one.

Molecular Properties

Compound Name2,4-bis(1,5-dimethylimidazol-4-yl)pentan-3-one
PubChem CID174379942
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2,4-bis(1,5-dimethylimidazol-4-yl)pentan-3-one
SMILESCc1c(C(C)C(=O)C(C)c2ncn(C)c2C)ncn1C
InChIInChI=1S/C15H22N4O/c1-9(13-11(3)18(5)7-16-13)15(20)10(2)14-12(4)19(6)8-17-14/h7-10H,1-6H3
InChIKeyZBHLIJWABCIZGN-UHFFFAOYSA-N
XLogP2.25
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1,5-dimethylimidazol-4-yl)pentan-3-one?
The IUPAC name of 2,4-bis(1,5-dimethylimidazol-4-yl)pentan-3-one (CID 174379942) is 2,4-bis(1,5-dimethylimidazol-4-yl)pentan-3-one.
What is the SMILES notation for 2,4-bis(1,5-dimethylimidazol-4-yl)pentan-3-one?
The canonical SMILES for 2,4-bis(1,5-dimethylimidazol-4-yl)pentan-3-one is Cc1c(C(C)C(=O)C(C)c2ncn(C)c2C)ncn1C.
What is the InChIKey of 2,4-bis(1,5-dimethylimidazol-4-yl)pentan-3-one?
The InChIKey is ZBHLIJWABCIZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-9(13-11(3)18(5)7-16-13)15(20)10(2)14-12(4)19(6)8-17-14/h7-10H,1-6H3.
What are the key properties of 2,4-bis(1,5-dimethylimidazol-4-yl)pentan-3-one?
2,4-bis(1,5-dimethylimidazol-4-yl)pentan-3-one has a molecular weight of 274.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1,5-dimethylimidazol-4-yl)pentan-3-one is sourced from PubChem (CID 174379942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).