7-methyl-3-(1-propan-2-ylimidazol-2-yl)-1H-indole

C15H17N3 — CID 72939521

IUPAC7-methyl-3-(1-propan-2-ylimidazol-2-yl)-1H-indole
SMILESCc1cccc2c(-c3nccn3C(C)C)c[nH]c12
InChIInChI=1S/C15H17N3/c1-10(2)18-8-7-16-15(18)13-9-17-14-11(3)5-4-6-12(13)14/h4-10,17H,1-3H3
InChIKeyMLRQEJHDPLJKLJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.92
Rot. Bonds2

About 7-methyl-3-(1-propan-2-ylimidazol-2-yl)-1H-indole

7-methyl-3-(1-propan-2-ylimidazol-2-yl)-1H-indole (PubChem CID 72939521) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 7-methyl-3-(1-propan-2-ylimidazol-2-yl)-1H-indole.

Molecular Properties

Compound Name7-methyl-3-(1-propan-2-ylimidazol-2-yl)-1H-indole
PubChem CID72939521
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name7-methyl-3-(1-propan-2-ylimidazol-2-yl)-1H-indole
SMILESCc1cccc2c(-c3nccn3C(C)C)c[nH]c12
InChIInChI=1S/C15H17N3/c1-10(2)18-8-7-16-15(18)13-9-17-14-11(3)5-4-6-12(13)14/h4-10,17H,1-3H3
InChIKeyMLRQEJHDPLJKLJ-UHFFFAOYSA-N
XLogP3.92
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(1-propan-2-ylimidazol-2-yl)-1H-indole?
The IUPAC name of 7-methyl-3-(1-propan-2-ylimidazol-2-yl)-1H-indole (CID 72939521) is 7-methyl-3-(1-propan-2-ylimidazol-2-yl)-1H-indole.
What is the SMILES notation for 7-methyl-3-(1-propan-2-ylimidazol-2-yl)-1H-indole?
The canonical SMILES for 7-methyl-3-(1-propan-2-ylimidazol-2-yl)-1H-indole is Cc1cccc2c(-c3nccn3C(C)C)c[nH]c12.
What is the InChIKey of 7-methyl-3-(1-propan-2-ylimidazol-2-yl)-1H-indole?
The InChIKey is MLRQEJHDPLJKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10(2)18-8-7-16-15(18)13-9-17-14-11(3)5-4-6-12(13)14/h4-10,17H,1-3H3.
What are the key properties of 7-methyl-3-(1-propan-2-ylimidazol-2-yl)-1H-indole?
7-methyl-3-(1-propan-2-ylimidazol-2-yl)-1H-indole has a molecular weight of 239.32 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(1-propan-2-ylimidazol-2-yl)-1H-indole is sourced from PubChem (CID 72939521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).