2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine

C14H15BrN4O — CID 84610361

IUPAC2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(-c2ccc3oc(C)nc3c2)c(Br)[nH]1
InChIInChI=1S/C14H15BrN4O/c1-8-17-10-7-9(3-4-11(10)20-8)13-14(15)19-12(18-13)5-6-16-2/h3-4,7,16H,5-6H2,1-2H3,(H,18,19)
InChIKeyHULLGJDAWKAKJY-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.05
Rot. Bonds4

About 2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine

2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine (PubChem CID 84610361) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine
PubChem CID84610361
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(-c2ccc3oc(C)nc3c2)c(Br)[nH]1
InChIInChI=1S/C14H15BrN4O/c1-8-17-10-7-9(3-4-11(10)20-8)13-14(15)19-12(18-13)5-6-16-2/h3-4,7,16H,5-6H2,1-2H3,(H,18,19)
InChIKeyHULLGJDAWKAKJY-UHFFFAOYSA-N
XLogP3.05
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine with MolForge

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Related Compounds

1-[4-bromo-2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)pyrazol-3-yl]-N-methylmethanamine
CID 84610335
3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876940
N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine
CID 116897785
N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine
CID 116853402
[2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol
CID 116828786
4-(2-methyl-1,3-benzoxazol-5-yl)-1,3-dihydroimidazole-2-thione
CID 116879611
5-[2-(bromomethyl)-1,3-thiazol-4-yl]-2-methyl-1,3-benzoxazole
CID 116970349
N-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine
CID 116900562
3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
CID 82492852
2-methyl-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53140993
5-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
CID 53140950
N-ethyl-2-methyl-1,3-benzoxazol-5-amine
CID 28676121

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine (CID 84610361) is 2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine is CNCCc1nc(-c2ccc3oc(C)nc3c2)c(Br)[nH]1.
What is the InChIKey of 2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine?
The InChIKey is HULLGJDAWKAKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-8-17-10-7-9(3-4-11(10)20-8)13-14(15)19-12(18-13)5-6-16-2/h3-4,7,16H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine?
2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine has a molecular weight of 335.21 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-4-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 84610361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).