3-(1H-imidazol-2-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one

C15H15N3O — CID 21270046

IUPAC3-(1H-imidazol-2-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)CCc1ncc[nH]1
InChIInChI=1S/C15H15N3O/c1-10-15(11-4-2-3-5-12(11)18-10)13(19)6-7-14-16-8-9-17-14/h2-5,8-9,18H,6-7H2,1H3,(H,16,17)
InChIKeyJNOAGPAHYRTPFS-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.01
Rot. Bonds4

About 3-(1H-imidazol-2-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one

3-(1H-imidazol-2-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one (PubChem CID 21270046) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one
PubChem CID21270046
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-(1H-imidazol-2-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)CCc1ncc[nH]1
InChIInChI=1S/C15H15N3O/c1-10-15(11-4-2-3-5-12(11)18-10)13(19)6-7-14-16-8-9-17-14/h2-5,8-9,18H,6-7H2,1H3,(H,16,17)
InChIKeyJNOAGPAHYRTPFS-UHFFFAOYSA-N
XLogP3.01
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one?
The IUPAC name of 3-(1H-imidazol-2-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one (CID 21270046) is 3-(1H-imidazol-2-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one?
The canonical SMILES for 3-(1H-imidazol-2-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one is Cc1[nH]c2ccccc2c1C(=O)CCc1ncc[nH]1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one?
The InChIKey is JNOAGPAHYRTPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-15(11-4-2-3-5-12(11)18-10)13(19)6-7-14-16-8-9-17-14/h2-5,8-9,18H,6-7H2,1H3,(H,16,17).
What are the key properties of 3-(1H-imidazol-2-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one?
3-(1H-imidazol-2-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one has a molecular weight of 253.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 21270046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).