5-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-1,3-dihydroindol-2-one

C13H13BrN4O — CID 116835058

IUPAC5-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-1,3-dihydroindol-2-one
SMILESNCC(c1ccc2c(c1)CC(=O)N2)c1ncc(Br)[nH]1
InChIInChI=1S/C13H13BrN4O/c14-11-6-16-13(18-11)9(5-15)7-1-2-10-8(3-7)4-12(19)17-10/h1-3,6,9H,4-5,15H2,(H,16,18)(H,17,19)
InChIKeyBFWSBABGKHJLAB-UHFFFAOYSA-N
MW321.18 g/mol
LogP1.76
Rot. Bonds3

About 5-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-1,3-dihydroindol-2-one

5-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-1,3-dihydroindol-2-one (PubChem CID 116835058) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 5-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-1,3-dihydroindol-2-one
PubChem CID116835058
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name5-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-1,3-dihydroindol-2-one
SMILESNCC(c1ccc2c(c1)CC(=O)N2)c1ncc(Br)[nH]1
InChIInChI=1S/C13H13BrN4O/c14-11-6-16-13(18-11)9(5-15)7-1-2-10-8(3-7)4-12(19)17-10/h1-3,6,9H,4-5,15H2,(H,16,18)(H,17,19)
InChIKeyBFWSBABGKHJLAB-UHFFFAOYSA-N
XLogP1.76
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-amino-1-pyrimidin-4-ylethyl)-1,3-dihydroindol-2-one
CID 116833671
2-(5-bromo-1H-imidazol-2-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 116835081
6-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-3H-1,3-benzoxazol-2-one
CID 116835096
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
2-(5-bromo-1H-imidazol-2-yl)-2-(4-butan-2-ylphenyl)ethanamine
CID 116835043
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one
CID 116835597
5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 116949019
5-[amino(pyridin-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43198851
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
CID 43198852
5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one
CID 43197937

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-1,3-dihydroindol-2-one (CID 116835058) is 5-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-1,3-dihydroindol-2-one is NCC(c1ccc2c(c1)CC(=O)N2)c1ncc(Br)[nH]1.
What is the InChIKey of 5-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is BFWSBABGKHJLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c14-11-6-16-13(18-11)9(5-15)7-1-2-10-8(3-7)4-12(19)17-10/h1-3,6,9H,4-5,15H2,(H,16,18)(H,17,19).
What are the key properties of 5-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-1,3-dihydroindol-2-one?
5-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 321.18 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 116835058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).