4,5-dichloro-1-(3-methylbutyl)imidazole

C8H12Cl2N2 — CID 127009592

IUPAC4,5-dichloro-1-(3-methylbutyl)imidazole
SMILESCC(C)CCn1cnc(Cl)c1Cl
InChIInChI=1S/C8H12Cl2N2/c1-6(2)3-4-12-5-11-7(9)8(12)10/h5-6H,3-4H2,1-2H3
InChIKeyKIBHRSYKOUBIEO-UHFFFAOYSA-N
MW207.10 g/mol
LogP3.24
Rot. Bonds3

About 4,5-dichloro-1-(3-methylbutyl)imidazole

4,5-dichloro-1-(3-methylbutyl)imidazole (PubChem CID 127009592) has the molecular formula C8H12Cl2N2 and a molecular weight of 207.10 g/mol. Its IUPAC name is 4,5-dichloro-1-(3-methylbutyl)imidazole.

Molecular Properties

Compound Name4,5-dichloro-1-(3-methylbutyl)imidazole
PubChem CID127009592
Molecular FormulaC8H12Cl2N2
Molecular Weight207.10 g/mol
Exact Mass206.04
IUPAC Name4,5-dichloro-1-(3-methylbutyl)imidazole
SMILESCC(C)CCn1cnc(Cl)c1Cl
InChIInChI=1S/C8H12Cl2N2/c1-6(2)3-4-12-5-11-7(9)8(12)10/h5-6H,3-4H2,1-2H3
InChIKeyKIBHRSYKOUBIEO-UHFFFAOYSA-N
XLogP3.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-(3-methylbutyl)imidazole?
The IUPAC name of 4,5-dichloro-1-(3-methylbutyl)imidazole (CID 127009592) is 4,5-dichloro-1-(3-methylbutyl)imidazole.
What is the SMILES notation for 4,5-dichloro-1-(3-methylbutyl)imidazole?
The canonical SMILES for 4,5-dichloro-1-(3-methylbutyl)imidazole is CC(C)CCn1cnc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-(3-methylbutyl)imidazole?
The InChIKey is KIBHRSYKOUBIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2N2/c1-6(2)3-4-12-5-11-7(9)8(12)10/h5-6H,3-4H2,1-2H3.
What are the key properties of 4,5-dichloro-1-(3-methylbutyl)imidazole?
4,5-dichloro-1-(3-methylbutyl)imidazole has a molecular weight of 207.10 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-(3-methylbutyl)imidazole is sourced from PubChem (CID 127009592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).