5-[amino(oxolan-3-yl)methyl]-6-bromo-1,3-dimethylbenzimidazol-2-one

C14H18BrN3O2 — CID 62349930

IUPAC5-[amino(oxolan-3-yl)methyl]-6-bromo-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(N)C3CCOC3)c(Br)cc21
InChIInChI=1S/C14H18BrN3O2/c1-17-11-5-9(13(16)8-3-4-20-7-8)10(15)6-12(11)18(2)14(17)19/h5-6,8,13H,3-4,7,16H2,1-2H3
InChIKeyUQMGGUJJGHSCSI-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.68
Rot. Bonds2

About 5-[amino(oxolan-3-yl)methyl]-6-bromo-1,3-dimethylbenzimidazol-2-one

5-[amino(oxolan-3-yl)methyl]-6-bromo-1,3-dimethylbenzimidazol-2-one (PubChem CID 62349930) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 5-[amino(oxolan-3-yl)methyl]-6-bromo-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino(oxolan-3-yl)methyl]-6-bromo-1,3-dimethylbenzimidazol-2-one
PubChem CID62349930
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name5-[amino(oxolan-3-yl)methyl]-6-bromo-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(N)C3CCOC3)c(Br)cc21
InChIInChI=1S/C14H18BrN3O2/c1-17-11-5-9(13(16)8-3-4-20-7-8)10(15)6-12(11)18(2)14(17)19/h5-6,8,13H,3-4,7,16H2,1-2H3
InChIKeyUQMGGUJJGHSCSI-UHFFFAOYSA-N
XLogP1.68
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[amino(oxolan-3-yl)methyl]-6-bromo-1,3-dimethylbenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[amino(oxolan-3-yl)methyl]-6-bromo-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[amino(oxolan-3-yl)methyl]-6-bromo-1,3-dimethylbenzimidazol-2-one (CID 62349930) is 5-[amino(oxolan-3-yl)methyl]-6-bromo-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[amino(oxolan-3-yl)methyl]-6-bromo-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[amino(oxolan-3-yl)methyl]-6-bromo-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(C(N)C3CCOC3)c(Br)cc21.
What is the InChIKey of 5-[amino(oxolan-3-yl)methyl]-6-bromo-1,3-dimethylbenzimidazol-2-one?
The InChIKey is UQMGGUJJGHSCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-17-11-5-9(13(16)8-3-4-20-7-8)10(15)6-12(11)18(2)14(17)19/h5-6,8,13H,3-4,7,16H2,1-2H3.
What are the key properties of 5-[amino(oxolan-3-yl)methyl]-6-bromo-1,3-dimethylbenzimidazol-2-one?
5-[amino(oxolan-3-yl)methyl]-6-bromo-1,3-dimethylbenzimidazol-2-one has a molecular weight of 340.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(oxolan-3-yl)methyl]-6-bromo-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 62349930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).