methyl N-methyl-5-[5-methyl-2-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-indole-2-carboximidate

C22H22N6O2 — CID 143976758

IUPACmethyl N-methyl-5-[5-methyl-2-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-indole-2-carboximidate
SMILESC/N=C(\OC)c1cc2cc(-c3nc(C(=O)NCc4ccccn4)[nH]c3C)ccc2[nH]1
InChIInChI=1S/C22H22N6O2/c1-13-19(28-20(26-13)21(29)25-12-16-6-4-5-9-24-16)14-7-8-17-15(10-14)11-18(27-17)22(23-2)30-3/h4-11,27H,12H2,1-3H3,(H,25,29)(H,26,28)/b23-22-
InChIKeyVHRIDIHLOBEMKY-FCQUAONHSA-N
MW402.46 g/mol
LogP3.21
Rot. Bonds5

About methyl N-methyl-5-[5-methyl-2-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-indole-2-carboximidate

methyl N-methyl-5-[5-methyl-2-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-indole-2-carboximidate (PubChem CID 143976758) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is methyl N-methyl-5-[5-methyl-2-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-indole-2-carboximidate.

Molecular Properties

Compound Namemethyl N-methyl-5-[5-methyl-2-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-indole-2-carboximidate
PubChem CID143976758
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Namemethyl N-methyl-5-[5-methyl-2-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-indole-2-carboximidate
SMILESC/N=C(\OC)c1cc2cc(-c3nc(C(=O)NCc4ccccn4)[nH]c3C)ccc2[nH]1
InChIInChI=1S/C22H22N6O2/c1-13-19(28-20(26-13)21(29)25-12-16-6-4-5-9-24-16)14-7-8-17-15(10-14)11-18(27-17)22(23-2)30-3/h4-11,27H,12H2,1-3H3,(H,25,29)(H,26,28)/b23-22-
InChIKeyVHRIDIHLOBEMKY-FCQUAONHSA-N
XLogP3.21
TPSA108.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 7678004
7-methoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 110851880
2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 2576679
1-(1H-indol-2-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110968674
4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 100746847
2-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-4-carboxamide
CID 110698624
2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 16589995
4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135654390
5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 57401810
6-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 171132589
ethyl 3,5-dimethyl-4-(pyridin-2-ylmethylcarbamoyl)-1H-pyrrole-2-carboxylate
CID 3236702
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-5-[5-methyl-2-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-indole-2-carboximidate?
The IUPAC name of methyl N-methyl-5-[5-methyl-2-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-indole-2-carboximidate (CID 143976758) is methyl N-methyl-5-[5-methyl-2-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-indole-2-carboximidate.
What is the SMILES notation for methyl N-methyl-5-[5-methyl-2-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-indole-2-carboximidate?
The canonical SMILES for methyl N-methyl-5-[5-methyl-2-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-indole-2-carboximidate is C/N=C(\OC)c1cc2cc(-c3nc(C(=O)NCc4ccccn4)[nH]c3C)ccc2[nH]1.
What is the InChIKey of methyl N-methyl-5-[5-methyl-2-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-indole-2-carboximidate?
The InChIKey is VHRIDIHLOBEMKY-FCQUAONHSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-13-19(28-20(26-13)21(29)25-12-16-6-4-5-9-24-16)14-7-8-17-15(10-14)11-18(27-17)22(23-2)30-3/h4-11,27H,12H2,1-3H3,(H,25,29)(H,26,28)/b23-22-.
What are the key properties of methyl N-methyl-5-[5-methyl-2-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-indole-2-carboximidate?
methyl N-methyl-5-[5-methyl-2-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-indole-2-carboximidate has a molecular weight of 402.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-5-[5-methyl-2-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-indole-2-carboximidate is sourced from PubChem (CID 143976758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).