5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one

C13H14N4O — CID 82293405

IUPAC5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
SMILESCNCc1ncc(-c2ccc3c(c2)CC(=O)N3)[nH]1
InChIInChI=1S/C13H14N4O/c1-14-7-12-15-6-11(16-12)8-2-3-10-9(4-8)5-13(18)17-10/h2-4,6,14H,5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyGDKIOPOLDFJHRJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.29
Rot. Bonds3

About 5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one

5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one (PubChem CID 82293405) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
PubChem CID82293405
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
SMILESCNCc1ncc(-c2ccc3c(c2)CC(=O)N3)[nH]1
InChIInChI=1S/C13H14N4O/c1-14-7-12-15-6-11(16-12)8-2-3-10-9(4-8)5-13(18)17-10/h2-4,6,14H,5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyGDKIOPOLDFJHRJ-UHFFFAOYSA-N
XLogP1.29
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
CID 116880898
5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
CID 82298804
6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 82293410
1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one
CID 95473943
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651401
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651418
5-[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one
CID 163579784
5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one
CID 116828739
N-methyl-1-[5-(10H-phenothiazin-2-yl)-1H-imidazol-2-yl]methanamine;hydrochloride
CID 67214155
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
CID 72716184
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458
5-[2-[2-(3-hydroxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one
CID 163602287

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one (CID 82293405) is 5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one is CNCc1ncc(-c2ccc3c(c2)CC(=O)N3)[nH]1.
What is the InChIKey of 5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one?
The InChIKey is GDKIOPOLDFJHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-14-7-12-15-6-11(16-12)8-2-3-10-9(4-8)5-13(18)17-10/h2-4,6,14H,5,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one?
5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 242.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 82293405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).