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

C13H13ClN4O — CID 62357274

IUPAC6-chloro-5-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCn1ccnc1CNc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C13H13ClN4O/c1-18-3-2-15-12(18)7-16-11-4-8-5-13(19)17-10(8)6-9(11)14/h2-4,6,16H,5,7H2,1H3,(H,17,19)
InChIKeySFQXKMSAXJMNEJ-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.18
Rot. Bonds3

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

6-chloro-5-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 62357274) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 6-chloro-5-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one
PubChem CID62357274
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name6-chloro-5-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCn1ccnc1CNc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C13H13ClN4O/c1-18-3-2-15-12(18)7-16-11-4-8-5-13(19)17-10(8)6-9(11)14/h2-4,6,16H,5,7H2,1H3,(H,17,19)
InChIKeySFQXKMSAXJMNEJ-UHFFFAOYSA-N
XLogP2.18
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)-(1H-imidazol-2-yl)methylidene]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-one
CID 67161540
N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide
CID 127025845
N-[3-chloro-4-(5-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide
CID 127025847
N-[3-chloro-4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide
CID 127028298
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide
CID 127029302
6-Chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one
CID 134140653
N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide
CID 127026469
(3Z)-1-(3-chlorophenyl)-3-(imidazol-1-ylmethylidene)indol-2-one
CID 13339527
US11312712, Example 338
CID 122654363
(1S,2S)-5'-chloro-2-(1-methylimidazol-2-yl)spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956374
N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-3-imidazol-1-ylpropanamide
CID 53580998
(3Z)-3-[(4-chloro-2-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-one
CID 57976098

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one (CID 62357274) is 6-chloro-5-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one is Cn1ccnc1CNc1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 6-chloro-5-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is SFQXKMSAXJMNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-18-3-2-15-12(18)7-16-11-4-8-5-13(19)17-10(8)6-9(11)14/h2-4,6,16H,5,7H2,1H3,(H,17,19).
What are the key properties of 6-chloro-5-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one?
6-chloro-5-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 276.73 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 62357274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).