1,3,3-trimethyl-6-[1-(5-methylpyrimidin-2-yl)imidazol-4-yl]indol-2-one

C19H19N5O — CID 118525996

IUPAC1,3,3-trimethyl-6-[1-(5-methylpyrimidin-2-yl)imidazol-4-yl]indol-2-one
SMILESCc1cnc(-n2cnc(-c3ccc4c(c3)N(C)C(=O)C4(C)C)c2)nc1
InChIInChI=1S/C19H19N5O/c1-12-8-20-18(21-9-12)24-10-15(22-11-24)13-5-6-14-16(7-13)23(4)17(25)19(14,2)3/h5-11H,1-4H3
InChIKeyNGFJMDYXFWFXID-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.89
Rot. Bonds2

About 1,3,3-trimethyl-6-[1-(5-methylpyrimidin-2-yl)imidazol-4-yl]indol-2-one

1,3,3-trimethyl-6-[1-(5-methylpyrimidin-2-yl)imidazol-4-yl]indol-2-one (PubChem CID 118525996) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 1,3,3-trimethyl-6-[1-(5-methylpyrimidin-2-yl)imidazol-4-yl]indol-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-6-[1-(5-methylpyrimidin-2-yl)imidazol-4-yl]indol-2-one
PubChem CID118525996
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name1,3,3-trimethyl-6-[1-(5-methylpyrimidin-2-yl)imidazol-4-yl]indol-2-one
SMILESCc1cnc(-n2cnc(-c3ccc4c(c3)N(C)C(=O)C4(C)C)c2)nc1
InChIInChI=1S/C19H19N5O/c1-12-8-20-18(21-9-12)24-10-15(22-11-24)13-5-6-14-16(7-13)23(4)17(25)19(14,2)3/h5-11H,1-4H3
InChIKeyNGFJMDYXFWFXID-UHFFFAOYSA-N
XLogP2.89
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-6-[1-(5-methylpyrimidin-2-yl)imidazol-4-yl]indol-2-one?
The IUPAC name of 1,3,3-trimethyl-6-[1-(5-methylpyrimidin-2-yl)imidazol-4-yl]indol-2-one (CID 118525996) is 1,3,3-trimethyl-6-[1-(5-methylpyrimidin-2-yl)imidazol-4-yl]indol-2-one.
What is the SMILES notation for 1,3,3-trimethyl-6-[1-(5-methylpyrimidin-2-yl)imidazol-4-yl]indol-2-one?
The canonical SMILES for 1,3,3-trimethyl-6-[1-(5-methylpyrimidin-2-yl)imidazol-4-yl]indol-2-one is Cc1cnc(-n2cnc(-c3ccc4c(c3)N(C)C(=O)C4(C)C)c2)nc1.
What is the InChIKey of 1,3,3-trimethyl-6-[1-(5-methylpyrimidin-2-yl)imidazol-4-yl]indol-2-one?
The InChIKey is NGFJMDYXFWFXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-12-8-20-18(21-9-12)24-10-15(22-11-24)13-5-6-14-16(7-13)23(4)17(25)19(14,2)3/h5-11H,1-4H3.
What are the key properties of 1,3,3-trimethyl-6-[1-(5-methylpyrimidin-2-yl)imidazol-4-yl]indol-2-one?
1,3,3-trimethyl-6-[1-(5-methylpyrimidin-2-yl)imidazol-4-yl]indol-2-one has a molecular weight of 333.40 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-6-[1-(5-methylpyrimidin-2-yl)imidazol-4-yl]indol-2-one is sourced from PubChem (CID 118525996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).