6-chloro-5-(1H-imidazol-5-ylmethylamino)-1,3-dihydroindol-2-one

C12H11ClN4O — CID 62761930

IUPAC6-chloro-5-(1H-imidazol-5-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCc3cnc[nH]3)c(Cl)cc2N1
InChIInChI=1S/C12H11ClN4O/c13-9-3-10-7(2-12(18)17-10)1-11(9)15-5-8-4-14-6-16-8/h1,3-4,6,15H,2,5H2,(H,14,16)(H,17,18)
InChIKeyOKOPZCZMQUVUHG-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.17
Rot. Bonds3

About 6-chloro-5-(1H-imidazol-5-ylmethylamino)-1,3-dihydroindol-2-one

6-chloro-5-(1H-imidazol-5-ylmethylamino)-1,3-dihydroindol-2-one (PubChem CID 62761930) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 6-chloro-5-(1H-imidazol-5-ylmethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(1H-imidazol-5-ylmethylamino)-1,3-dihydroindol-2-one
PubChem CID62761930
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name6-chloro-5-(1H-imidazol-5-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCc3cnc[nH]3)c(Cl)cc2N1
InChIInChI=1S/C12H11ClN4O/c13-9-3-10-7(2-12(18)17-10)1-11(9)15-5-8-4-14-6-16-8/h1,3-4,6,15H,2,5H2,(H,14,16)(H,17,18)
InChIKeyOKOPZCZMQUVUHG-UHFFFAOYSA-N
XLogP2.17
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(1H-imidazol-5-ylmethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(1H-imidazol-5-ylmethylamino)-1,3-dihydroindol-2-one (CID 62761930) is 6-chloro-5-(1H-imidazol-5-ylmethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(1H-imidazol-5-ylmethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(1H-imidazol-5-ylmethylamino)-1,3-dihydroindol-2-one is O=C1Cc2cc(NCc3cnc[nH]3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-(1H-imidazol-5-ylmethylamino)-1,3-dihydroindol-2-one?
The InChIKey is OKOPZCZMQUVUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c13-9-3-10-7(2-12(18)17-10)1-11(9)15-5-8-4-14-6-16-8/h1,3-4,6,15H,2,5H2,(H,14,16)(H,17,18).
What are the key properties of 6-chloro-5-(1H-imidazol-5-ylmethylamino)-1,3-dihydroindol-2-one?
6-chloro-5-(1H-imidazol-5-ylmethylamino)-1,3-dihydroindol-2-one has a molecular weight of 262.70 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(1H-imidazol-5-ylmethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 62761930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).