3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one

C16H17N3O — CID 5311136

IUPAC3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one
SMILESCc1[nH]cnc1CCC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C16H17N3O/c1-11-14(18-10-17-11)7-8-16(20)13-9-19(2)15-6-4-3-5-12(13)15/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKeyQZNZJWLUNDXZQA-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.03
Rot. Bonds4

About 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one

3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one (PubChem CID 5311136) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one
PubChem CID5311136
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one
SMILESCc1[nH]cnc1CCC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C16H17N3O/c1-11-14(18-10-17-11)7-8-16(20)13-9-19(2)15-6-4-3-5-12(13)15/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKeyQZNZJWLUNDXZQA-UHFFFAOYSA-N
XLogP3.03
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one?
The IUPAC name of 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one (CID 5311136) is 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one.
What is the SMILES notation for 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one?
The canonical SMILES for 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one is Cc1[nH]cnc1CCC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one?
The InChIKey is QZNZJWLUNDXZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-14(18-10-17-11)7-8-16(20)13-9-19(2)15-6-4-3-5-12(13)15/h3-6,9-10H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one?
3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one has a molecular weight of 267.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one is sourced from PubChem (CID 5311136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).