6-chloro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]-1,3-dihydroindol-2-one

C13H13ClN4O — CID 55114495

IUPAC6-chloro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCc1[nH]cnc1CNc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C13H13ClN4O/c1-7-12(17-6-16-7)5-15-11-2-8-3-13(19)18-10(8)4-9(11)14/h2,4,6,15H,3,5H2,1H3,(H,16,17)(H,18,19)
InChIKeyZVTWXGOHOZDHBJ-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.48
Rot. Bonds3

About 6-chloro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]-1,3-dihydroindol-2-one

6-chloro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 55114495) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 6-chloro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]-1,3-dihydroindol-2-one
PubChem CID55114495
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name6-chloro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCc1[nH]cnc1CNc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C13H13ClN4O/c1-7-12(17-6-16-7)5-15-11-2-8-3-13(19)18-10(8)4-9(11)14/h2,4,6,15H,3,5H2,1H3,(H,16,17)(H,18,19)
InChIKeyZVTWXGOHOZDHBJ-UHFFFAOYSA-N
XLogP2.48
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]-1,3-dihydroindol-2-one (CID 55114495) is 6-chloro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]-1,3-dihydroindol-2-one is Cc1[nH]cnc1CNc1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 6-chloro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is ZVTWXGOHOZDHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-7-12(17-6-16-7)5-15-11-2-8-3-13(19)18-10(8)4-9(11)14/h2,4,6,15H,3,5H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-chloro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]-1,3-dihydroindol-2-one?
6-chloro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 276.73 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 55114495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).