1,3,7-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-2-carboxamide

C17H20N4O — CID 119060428

IUPAC1,3,7-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-2-carboxamide
SMILESCc1[nH]cnc1CNC(=O)c1c(C)c2cccc(C)c2n1C
InChIInChI=1S/C17H20N4O/c1-10-6-5-7-13-11(2)16(21(4)15(10)13)17(22)18-8-14-12(3)19-9-20-14/h5-7,9H,8H2,1-4H3,(H,18,22)(H,19,20)
InChIKeyCWFWVSXXAQXQNB-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.76
Rot. Bonds3

About 1,3,7-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-2-carboxamide

1,3,7-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-2-carboxamide (PubChem CID 119060428) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1,3,7-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name1,3,7-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-2-carboxamide
PubChem CID119060428
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1,3,7-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-2-carboxamide
SMILESCc1[nH]cnc1CNC(=O)c1c(C)c2cccc(C)c2n1C
InChIInChI=1S/C17H20N4O/c1-10-6-5-7-13-11(2)16(21(4)15(10)13)17(22)18-8-14-12(3)19-9-20-14/h5-7,9H,8H2,1-4H3,(H,18,22)(H,19,20)
InChIKeyCWFWVSXXAQXQNB-UHFFFAOYSA-N
XLogP2.76
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3,7-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide
CID 56717402
N-benzyl-5-methyl-1H-imidazole-4-carboxamide
CID 71320720
N-[(2R)-1-amino-1-oxobutan-2-yl]-N,1,3,7-tetramethylindole-2-carboxamide
CID 126426807
3,7-dimethyl-1-propylindole-2-carboxylic acid
CID 83969429
1,3,7-trimethyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]indole-2-carboxamide
CID 135098674
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 62742307
N,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide
CID 126424749
1,3,7-trimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]indole-2-carboxamide
CID 56910824
(4R)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 126435440
5-cyano-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 166189004
N-[(R)-cyclopropyl(pyridin-2-yl)methyl]-N,1,3,7-tetramethylindole-2-carboxamide
CID 99927995
2-(hydroxymethyl)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]propane-1,3-diol
CID 107850476

Frequently Asked Questions

What is the IUPAC name of 1,3,7-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-2-carboxamide?
The IUPAC name of 1,3,7-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-2-carboxamide (CID 119060428) is 1,3,7-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-2-carboxamide.
What is the SMILES notation for 1,3,7-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-2-carboxamide?
The canonical SMILES for 1,3,7-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-2-carboxamide is Cc1[nH]cnc1CNC(=O)c1c(C)c2cccc(C)c2n1C.
What is the InChIKey of 1,3,7-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-2-carboxamide?
The InChIKey is CWFWVSXXAQXQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-10-6-5-7-13-11(2)16(21(4)15(10)13)17(22)18-8-14-12(3)19-9-20-14/h5-7,9H,8H2,1-4H3,(H,18,22)(H,19,20).
What are the key properties of 1,3,7-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-2-carboxamide?
1,3,7-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indole-2-carboxamide is sourced from PubChem (CID 119060428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).