1-methyl-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-N-(1,2,3-trimethylindol-5-yl)piperazine-2-carboxamide

C21H26N6O3 — CID 110085675

IUPAC1-methyl-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-N-(1,2,3-trimethylindol-5-yl)piperazine-2-carboxamide
SMILESCc1c(C)n(C)c2ccc(NC(=O)C3CN(C(=O)c4c[nH]c(=O)[nH]4)CCN3C)cc12
InChIInChI=1S/C21H26N6O3/c1-12-13(2)26(4)17-6-5-14(9-15(12)17)23-19(28)18-11-27(8-7-25(18)3)20(29)16-10-22-21(30)24-16/h5-6,9-10,18H,7-8,11H2,1-4H3,(H,23,28)(H2,22,24,30)
InChIKeyJGPIGMQJAMTWKC-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.21
Rot. Bonds3

About 1-methyl-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-N-(1,2,3-trimethylindol-5-yl)piperazine-2-carboxamide

1-methyl-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-N-(1,2,3-trimethylindol-5-yl)piperazine-2-carboxamide (PubChem CID 110085675) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 1-methyl-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-N-(1,2,3-trimethylindol-5-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-N-(1,2,3-trimethylindol-5-yl)piperazine-2-carboxamide
PubChem CID110085675
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name1-methyl-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-N-(1,2,3-trimethylindol-5-yl)piperazine-2-carboxamide
SMILESCc1c(C)n(C)c2ccc(NC(=O)C3CN(C(=O)c4c[nH]c(=O)[nH]4)CCN3C)cc12
InChIInChI=1S/C21H26N6O3/c1-12-13(2)26(4)17-6-5-14(9-15(12)17)23-19(28)18-11-27(8-7-25(18)3)20(29)16-10-22-21(30)24-16/h5-6,9-10,18H,7-8,11H2,1-4H3,(H,23,28)(H2,22,24,30)
InChIKeyJGPIGMQJAMTWKC-UHFFFAOYSA-N
XLogP1.21
TPSA106.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-N-(1,2,3-trimethylindol-5-yl)piperazine-2-carboxamide?
The IUPAC name of 1-methyl-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-N-(1,2,3-trimethylindol-5-yl)piperazine-2-carboxamide (CID 110085675) is 1-methyl-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-N-(1,2,3-trimethylindol-5-yl)piperazine-2-carboxamide.
What is the SMILES notation for 1-methyl-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-N-(1,2,3-trimethylindol-5-yl)piperazine-2-carboxamide?
The canonical SMILES for 1-methyl-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-N-(1,2,3-trimethylindol-5-yl)piperazine-2-carboxamide is Cc1c(C)n(C)c2ccc(NC(=O)C3CN(C(=O)c4c[nH]c(=O)[nH]4)CCN3C)cc12.
What is the InChIKey of 1-methyl-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-N-(1,2,3-trimethylindol-5-yl)piperazine-2-carboxamide?
The InChIKey is JGPIGMQJAMTWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-12-13(2)26(4)17-6-5-14(9-15(12)17)23-19(28)18-11-27(8-7-25(18)3)20(29)16-10-22-21(30)24-16/h5-6,9-10,18H,7-8,11H2,1-4H3,(H,23,28)(H2,22,24,30).
What are the key properties of 1-methyl-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-N-(1,2,3-trimethylindol-5-yl)piperazine-2-carboxamide?
1-methyl-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-N-(1,2,3-trimethylindol-5-yl)piperazine-2-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-N-(1,2,3-trimethylindol-5-yl)piperazine-2-carboxamide is sourced from PubChem (CID 110085675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).