5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one

C13H15N5O — CID 63293613

IUPAC5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCn1ccnc1CNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C13H15N5O/c1-18-3-2-15-12(18)7-16-11-6-10-8(4-9(11)14)5-13(19)17-10/h2-4,6,16H,5,7,14H2,1H3,(H,17,19)
InChIKeyLDXQTVSGGZBOLD-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.11
Rot. Bonds3

About 5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one

5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 63293613) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one
PubChem CID63293613
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCn1ccnc1CNc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C13H15N5O/c1-18-3-2-15-12(18)7-16-11-6-10-8(4-9(11)14)5-13(19)17-10/h2-4,6,16H,5,7,14H2,1H3,(H,17,19)
InChIKeyLDXQTVSGGZBOLD-UHFFFAOYSA-N
XLogP1.11
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one (CID 63293613) is 5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one is Cn1ccnc1CNc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is LDXQTVSGGZBOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-18-3-2-15-12(18)7-16-11-6-10-8(4-9(11)14)5-13(19)17-10/h2-4,6,16H,5,7,14H2,1H3,(H,17,19).
What are the key properties of 5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one?
5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 257.30 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 63293613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).