1-butyl-2,3-dimethyl-2H-imidazole;1H-imidazole;hydrobromide

C12H23BrN4 — CID 175131587

IUPAC1-butyl-2,3-dimethyl-2H-imidazole;1H-imidazole;hydrobromide
SMILESBr.CCCCN1C=CN(C)C1C.c1c[nH]cn1
InChIInChI=1S/C9H18N2.C3H4N2.BrH/c1-4-5-6-11-8-7-10(3)9(11)2;1-2-5-3-4-1;/h7-9H,4-6H2,1-3H3;1-3H,(H,4,5);1H
InChIKeyQOUGIINPWAUEIK-UHFFFAOYSA-N
MW303.25 g/mol
LogP2.84
Rot. Bonds3

About 1-butyl-2,3-dimethyl-2H-imidazole;1H-imidazole;hydrobromide

1-butyl-2,3-dimethyl-2H-imidazole;1H-imidazole;hydrobromide (PubChem CID 175131587) has the molecular formula C12H23BrN4 and a molecular weight of 303.25 g/mol. Its IUPAC name is 1-butyl-2,3-dimethyl-2H-imidazole;1H-imidazole;hydrobromide.

Molecular Properties

Compound Name1-butyl-2,3-dimethyl-2H-imidazole;1H-imidazole;hydrobromide
PubChem CID175131587
Molecular FormulaC12H23BrN4
Molecular Weight303.25 g/mol
Exact Mass302.11
IUPAC Name1-butyl-2,3-dimethyl-2H-imidazole;1H-imidazole;hydrobromide
SMILESBr.CCCCN1C=CN(C)C1C.c1c[nH]cn1
InChIInChI=1S/C9H18N2.C3H4N2.BrH/c1-4-5-6-11-8-7-10(3)9(11)2;1-2-5-3-4-1;/h7-9H,4-6H2,1-3H3;1-3H,(H,4,5);1H
InChIKeyQOUGIINPWAUEIK-UHFFFAOYSA-N
XLogP2.84
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,3-dimethyl-2H-imidazole;1H-imidazole;hydrobromide?
The IUPAC name of 1-butyl-2,3-dimethyl-2H-imidazole;1H-imidazole;hydrobromide (CID 175131587) is 1-butyl-2,3-dimethyl-2H-imidazole;1H-imidazole;hydrobromide.
What is the SMILES notation for 1-butyl-2,3-dimethyl-2H-imidazole;1H-imidazole;hydrobromide?
The canonical SMILES for 1-butyl-2,3-dimethyl-2H-imidazole;1H-imidazole;hydrobromide is Br.CCCCN1C=CN(C)C1C.c1c[nH]cn1.
What is the InChIKey of 1-butyl-2,3-dimethyl-2H-imidazole;1H-imidazole;hydrobromide?
The InChIKey is QOUGIINPWAUEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C3H4N2.BrH/c1-4-5-6-11-8-7-10(3)9(11)2;1-2-5-3-4-1;/h7-9H,4-6H2,1-3H3;1-3H,(H,4,5);1H.
What are the key properties of 1-butyl-2,3-dimethyl-2H-imidazole;1H-imidazole;hydrobromide?
1-butyl-2,3-dimethyl-2H-imidazole;1H-imidazole;hydrobromide has a molecular weight of 303.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,3-dimethyl-2H-imidazole;1H-imidazole;hydrobromide is sourced from PubChem (CID 175131587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).