1-methyl-7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)indole-6-carboxylic acid

C17H19N3O3 — CID 22402953

IUPAC1-methyl-7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)indole-6-carboxylic acid
SMILESCC(C)C1(C)N=C(c2c(C(=O)O)ccc3ccn(C)c23)NC1=O
InChIInChI=1S/C17H19N3O3/c1-9(2)17(3)16(23)18-14(19-17)12-11(15(21)22)6-5-10-7-8-20(4)13(10)12/h5-9H,1-4H3,(H,21,22)(H,18,19,23)
InChIKeyFLVYUHZHKUWBFN-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.17
Rot. Bonds3

About 1-methyl-7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)indole-6-carboxylic acid

1-methyl-7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)indole-6-carboxylic acid (PubChem CID 22402953) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-methyl-7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)indole-6-carboxylic acid.

Molecular Properties

Compound Name1-methyl-7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)indole-6-carboxylic acid
PubChem CID22402953
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-methyl-7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)indole-6-carboxylic acid
SMILESCC(C)C1(C)N=C(c2c(C(=O)O)ccc3ccn(C)c23)NC1=O
InChIInChI=1S/C17H19N3O3/c1-9(2)17(3)16(23)18-14(19-17)12-11(15(21)22)6-5-10-7-8-20(4)13(10)12/h5-9H,1-4H3,(H,21,22)(H,18,19,23)
InChIKeyFLVYUHZHKUWBFN-UHFFFAOYSA-N
XLogP2.17
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)indole-6-carboxylic acid?
The IUPAC name of 1-methyl-7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)indole-6-carboxylic acid (CID 22402953) is 1-methyl-7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)indole-6-carboxylic acid.
What is the SMILES notation for 1-methyl-7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)indole-6-carboxylic acid?
The canonical SMILES for 1-methyl-7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)indole-6-carboxylic acid is CC(C)C1(C)N=C(c2c(C(=O)O)ccc3ccn(C)c23)NC1=O.
What is the InChIKey of 1-methyl-7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)indole-6-carboxylic acid?
The InChIKey is FLVYUHZHKUWBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-9(2)17(3)16(23)18-14(19-17)12-11(15(21)22)6-5-10-7-8-20(4)13(10)12/h5-9H,1-4H3,(H,21,22)(H,18,19,23).
What are the key properties of 1-methyl-7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)indole-6-carboxylic acid?
1-methyl-7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)indole-6-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)indole-6-carboxylic acid is sourced from PubChem (CID 22402953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).