4,5-dichloro-1-(2,2-dimethylpropyl)imidazole

C8H12Cl2N2 — CID 21060385

IUPAC4,5-dichloro-1-(2,2-dimethylpropyl)imidazole
SMILESCC(C)(C)Cn1cnc(Cl)c1Cl
InChIInChI=1S/C8H12Cl2N2/c1-8(2,3)4-12-5-11-6(9)7(12)10/h5H,4H2,1-3H3
InChIKeyDRUNEZNXXKNMHQ-UHFFFAOYSA-N
MW207.10 g/mol
LogP3.24
Rot. Bonds1

About 4,5-dichloro-1-(2,2-dimethylpropyl)imidazole

4,5-dichloro-1-(2,2-dimethylpropyl)imidazole (PubChem CID 21060385) has the molecular formula C8H12Cl2N2 and a molecular weight of 207.10 g/mol. Its IUPAC name is 4,5-dichloro-1-(2,2-dimethylpropyl)imidazole.

Molecular Properties

Compound Name4,5-dichloro-1-(2,2-dimethylpropyl)imidazole
PubChem CID21060385
Molecular FormulaC8H12Cl2N2
Molecular Weight207.10 g/mol
Exact Mass206.04
IUPAC Name4,5-dichloro-1-(2,2-dimethylpropyl)imidazole
SMILESCC(C)(C)Cn1cnc(Cl)c1Cl
InChIInChI=1S/C8H12Cl2N2/c1-8(2,3)4-12-5-11-6(9)7(12)10/h5H,4H2,1-3H3
InChIKeyDRUNEZNXXKNMHQ-UHFFFAOYSA-N
XLogP3.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

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CID 28284452
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CID 86303
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CID 126847857
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CID 127001377
CID 127001377
CID 130618806
CID 130618806
CID 130739866
CID 130739866
CID 131084164
CID 131084164
CID 2778474
CID 2778474
CID 5056735
CID 5056735
CID 21052306
CID 21052306
CID 23064493
CID 23064493

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-(2,2-dimethylpropyl)imidazole?
The IUPAC name of 4,5-dichloro-1-(2,2-dimethylpropyl)imidazole (CID 21060385) is 4,5-dichloro-1-(2,2-dimethylpropyl)imidazole.
What is the SMILES notation for 4,5-dichloro-1-(2,2-dimethylpropyl)imidazole?
The canonical SMILES for 4,5-dichloro-1-(2,2-dimethylpropyl)imidazole is CC(C)(C)Cn1cnc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-(2,2-dimethylpropyl)imidazole?
The InChIKey is DRUNEZNXXKNMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2N2/c1-8(2,3)4-12-5-11-6(9)7(12)10/h5H,4H2,1-3H3.
What are the key properties of 4,5-dichloro-1-(2,2-dimethylpropyl)imidazole?
4,5-dichloro-1-(2,2-dimethylpropyl)imidazole has a molecular weight of 207.10 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-(2,2-dimethylpropyl)imidazole is sourced from PubChem (CID 21060385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).