3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(1H-indol-4-yl)propanamide

C16H18N4O2 — CID 112526320

IUPAC3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(1H-indol-4-yl)propanamide
SMILESCc1[nH]c(=O)n(CCC(=O)Nc2cccc3[nH]ccc23)c1C
InChIInChI=1S/C16H18N4O2/c1-10-11(2)20(16(22)18-10)9-7-15(21)19-14-5-3-4-13-12(14)6-8-17-13/h3-6,8,17H,7,9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyVUDUIGNROIVLSW-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.30
Rot. Bonds4

About 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(1H-indol-4-yl)propanamide

3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(1H-indol-4-yl)propanamide (PubChem CID 112526320) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(1H-indol-4-yl)propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(1H-indol-4-yl)propanamide
PubChem CID112526320
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(1H-indol-4-yl)propanamide
SMILESCc1[nH]c(=O)n(CCC(=O)Nc2cccc3[nH]ccc23)c1C
InChIInChI=1S/C16H18N4O2/c1-10-11(2)20(16(22)18-10)9-7-15(21)19-14-5-3-4-13-12(14)6-8-17-13/h3-6,8,17H,7,9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyVUDUIGNROIVLSW-UHFFFAOYSA-N
XLogP2.30
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(1H-indol-4-yl)propanamide?
The IUPAC name of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(1H-indol-4-yl)propanamide (CID 112526320) is 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(1H-indol-4-yl)propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(1H-indol-4-yl)propanamide?
The canonical SMILES for 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(1H-indol-4-yl)propanamide is Cc1[nH]c(=O)n(CCC(=O)Nc2cccc3[nH]ccc23)c1C.
What is the InChIKey of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(1H-indol-4-yl)propanamide?
The InChIKey is VUDUIGNROIVLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-11(2)20(16(22)18-10)9-7-15(21)19-14-5-3-4-13-12(14)6-8-17-13/h3-6,8,17H,7,9H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(1H-indol-4-yl)propanamide?
3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(1H-indol-4-yl)propanamide has a molecular weight of 298.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(1H-indol-4-yl)propanamide is sourced from PubChem (CID 112526320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).