2-propan-2-yl-4,5-dihydro-1H-imidazole;dihydrochloride

C6H14Cl2N2 — CID 18764863

IUPAC2-propan-2-yl-4,5-dihydro-1H-imidazole;dihydrochloride
SMILESCC(C)C1=NCCN1.Cl.Cl
InChIInChI=1S/C6H12N2.2ClH/c1-5(2)6-7-3-4-8-6;;/h5H,3-4H2,1-2H3,(H,7,8);2*1H
InChIKeyBPAZNZINLQSFMN-UHFFFAOYSA-N
MW185.10 g/mol
LogP1.49
Rot. Bonds1

About 2-propan-2-yl-4,5-dihydro-1H-imidazole;dihydrochloride

2-propan-2-yl-4,5-dihydro-1H-imidazole;dihydrochloride (PubChem CID 18764863) has the molecular formula C6H14Cl2N2 and a molecular weight of 185.10 g/mol. Its IUPAC name is 2-propan-2-yl-4,5-dihydro-1H-imidazole;dihydrochloride.

Molecular Properties

Compound Name2-propan-2-yl-4,5-dihydro-1H-imidazole;dihydrochloride
PubChem CID18764863
Molecular FormulaC6H14Cl2N2
Molecular Weight185.10 g/mol
Exact Mass184.05
IUPAC Name2-propan-2-yl-4,5-dihydro-1H-imidazole;dihydrochloride
SMILESCC(C)C1=NCCN1.Cl.Cl
InChIInChI=1S/C6H12N2.2ClH/c1-5(2)6-7-3-4-8-6;;/h5H,3-4H2,1-2H3,(H,7,8);2*1H
InChIKeyBPAZNZINLQSFMN-UHFFFAOYSA-N
XLogP1.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4,5-dihydro-1H-imidazole;dihydrochloride?
The IUPAC name of 2-propan-2-yl-4,5-dihydro-1H-imidazole;dihydrochloride (CID 18764863) is 2-propan-2-yl-4,5-dihydro-1H-imidazole;dihydrochloride.
What is the SMILES notation for 2-propan-2-yl-4,5-dihydro-1H-imidazole;dihydrochloride?
The canonical SMILES for 2-propan-2-yl-4,5-dihydro-1H-imidazole;dihydrochloride is CC(C)C1=NCCN1.Cl.Cl.
What is the InChIKey of 2-propan-2-yl-4,5-dihydro-1H-imidazole;dihydrochloride?
The InChIKey is BPAZNZINLQSFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.2ClH/c1-5(2)6-7-3-4-8-6;;/h5H,3-4H2,1-2H3,(H,7,8);2*1H.
What are the key properties of 2-propan-2-yl-4,5-dihydro-1H-imidazole;dihydrochloride?
2-propan-2-yl-4,5-dihydro-1H-imidazole;dihydrochloride has a molecular weight of 185.10 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4,5-dihydro-1H-imidazole;dihydrochloride is sourced from PubChem (CID 18764863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).