2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile

C10H13BrN4O — CID 84743603

IUPAC2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile
SMILESCc1nc(Br)c(C(C#N)N2CCOCC2)[nH]1
InChIInChI=1S/C10H13BrN4O/c1-7-13-9(10(11)14-7)8(6-12)15-2-4-16-5-3-15/h8H,2-5H2,1H3,(H,13,14)
InChIKeyHHTPGNCQXXEITD-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.38
Rot. Bonds2

About 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile

2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile (PubChem CID 84743603) has the molecular formula C10H13BrN4O and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile
PubChem CID84743603
Molecular FormulaC10H13BrN4O
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC Name2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile
SMILESCc1nc(Br)c(C(C#N)N2CCOCC2)[nH]1
InChIInChI=1S/C10H13BrN4O/c1-7-13-9(10(11)14-7)8(6-12)15-2-4-16-5-3-15/h8H,2-5H2,1H3,(H,13,14)
InChIKeyHHTPGNCQXXEITD-UHFFFAOYSA-N
XLogP1.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile (CID 84743603) is 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile is Cc1nc(Br)c(C(C#N)N2CCOCC2)[nH]1.
What is the InChIKey of 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile?
The InChIKey is HHTPGNCQXXEITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c1-7-13-9(10(11)14-7)8(6-12)15-2-4-16-5-3-15/h8H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile?
2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile has a molecular weight of 285.14 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 84743603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).