4-methyl-2-(1-methylindol-7-yl)-4-propan-2-yl-1H-imidazol-5-one

C16H19N3O — CID 57323497

IUPAC4-methyl-2-(1-methylindol-7-yl)-4-propan-2-yl-1H-imidazol-5-one
SMILESCC(C)C1(C)N=C(c2cccc3ccn(C)c23)NC1=O
InChIInChI=1S/C16H19N3O/c1-10(2)16(3)15(20)17-14(18-16)12-7-5-6-11-8-9-19(4)13(11)12/h5-10H,1-4H3,(H,17,18,20)
InChIKeyLJDDVDNHFFBVSC-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.47
Rot. Bonds2

About 4-methyl-2-(1-methylindol-7-yl)-4-propan-2-yl-1H-imidazol-5-one

4-methyl-2-(1-methylindol-7-yl)-4-propan-2-yl-1H-imidazol-5-one (PubChem CID 57323497) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-methyl-2-(1-methylindol-7-yl)-4-propan-2-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name4-methyl-2-(1-methylindol-7-yl)-4-propan-2-yl-1H-imidazol-5-one
PubChem CID57323497
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-methyl-2-(1-methylindol-7-yl)-4-propan-2-yl-1H-imidazol-5-one
SMILESCC(C)C1(C)N=C(c2cccc3ccn(C)c23)NC1=O
InChIInChI=1S/C16H19N3O/c1-10(2)16(3)15(20)17-14(18-16)12-7-5-6-11-8-9-19(4)13(11)12/h5-10H,1-4H3,(H,17,18,20)
InChIKeyLJDDVDNHFFBVSC-UHFFFAOYSA-N
XLogP2.47
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylindol-7-yl)-4-propan-2-yl-1H-imidazol-5-one?
The IUPAC name of 4-methyl-2-(1-methylindol-7-yl)-4-propan-2-yl-1H-imidazol-5-one (CID 57323497) is 4-methyl-2-(1-methylindol-7-yl)-4-propan-2-yl-1H-imidazol-5-one.
What is the SMILES notation for 4-methyl-2-(1-methylindol-7-yl)-4-propan-2-yl-1H-imidazol-5-one?
The canonical SMILES for 4-methyl-2-(1-methylindol-7-yl)-4-propan-2-yl-1H-imidazol-5-one is CC(C)C1(C)N=C(c2cccc3ccn(C)c23)NC1=O.
What is the InChIKey of 4-methyl-2-(1-methylindol-7-yl)-4-propan-2-yl-1H-imidazol-5-one?
The InChIKey is LJDDVDNHFFBVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10(2)16(3)15(20)17-14(18-16)12-7-5-6-11-8-9-19(4)13(11)12/h5-10H,1-4H3,(H,17,18,20).
What are the key properties of 4-methyl-2-(1-methylindol-7-yl)-4-propan-2-yl-1H-imidazol-5-one?
4-methyl-2-(1-methylindol-7-yl)-4-propan-2-yl-1H-imidazol-5-one has a molecular weight of 269.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylindol-7-yl)-4-propan-2-yl-1H-imidazol-5-one is sourced from PubChem (CID 57323497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).