6-chloro-5-[(1-propylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one

C15H17ClN4O — CID 62955256

IUPAC6-chloro-5-[(1-propylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCCCn1ccnc1CNc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C15H17ClN4O/c1-2-4-20-5-3-17-14(20)9-18-13-6-10-7-15(21)19-12(10)8-11(13)16/h3,5-6,8,18H,2,4,7,9H2,1H3,(H,19,21)
InChIKeyXRJLQCWUSAOYIF-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.05
Rot. Bonds5

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

6-chloro-5-[(1-propylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 62955256) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 6-chloro-5-[(1-propylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[(1-propylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one
PubChem CID62955256
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name6-chloro-5-[(1-propylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCCCn1ccnc1CNc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C15H17ClN4O/c1-2-4-20-5-3-17-14(20)9-18-13-6-10-7-15(21)19-12(10)8-11(13)16/h3,5-6,8,18H,2,4,7,9H2,1H3,(H,19,21)
InChIKeyXRJLQCWUSAOYIF-UHFFFAOYSA-N
XLogP3.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(1-propylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[(1-propylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one (CID 62955256) is 6-chloro-5-[(1-propylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[(1-propylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[(1-propylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one is CCCn1ccnc1CNc1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 6-chloro-5-[(1-propylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is XRJLQCWUSAOYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-2-4-20-5-3-17-14(20)9-18-13-6-10-7-15(21)19-12(10)8-11(13)16/h3,5-6,8,18H,2,4,7,9H2,1H3,(H,19,21).
What are the key properties of 6-chloro-5-[(1-propylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one?
6-chloro-5-[(1-propylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 304.78 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(1-propylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 62955256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).