1-(5-chloropentyl)-4,5-dimethylimidazole

C10H17ClN2 — CID 62349844

IUPAC1-(5-chloropentyl)-4,5-dimethylimidazole
SMILESCc1ncn(CCCCCCl)c1C
InChIInChI=1S/C10H17ClN2/c1-9-10(2)13(8-12-9)7-5-3-4-6-11/h8H,3-7H2,1-2H3
InChIKeyMCENGXSIKLSLCF-UHFFFAOYSA-N
MW200.71 g/mol
LogP2.91
Rot. Bonds5

About 1-(5-chloropentyl)-4,5-dimethylimidazole

1-(5-chloropentyl)-4,5-dimethylimidazole (PubChem CID 62349844) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is 1-(5-chloropentyl)-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-(5-chloropentyl)-4,5-dimethylimidazole
PubChem CID62349844
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name1-(5-chloropentyl)-4,5-dimethylimidazole
SMILESCc1ncn(CCCCCCl)c1C
InChIInChI=1S/C10H17ClN2/c1-9-10(2)13(8-12-9)7-5-3-4-6-11/h8H,3-7H2,1-2H3
InChIKeyMCENGXSIKLSLCF-UHFFFAOYSA-N
XLogP2.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentyl)-4,5-dimethylimidazole?
The IUPAC name of 1-(5-chloropentyl)-4,5-dimethylimidazole (CID 62349844) is 1-(5-chloropentyl)-4,5-dimethylimidazole.
What is the SMILES notation for 1-(5-chloropentyl)-4,5-dimethylimidazole?
The canonical SMILES for 1-(5-chloropentyl)-4,5-dimethylimidazole is Cc1ncn(CCCCCCl)c1C.
What is the InChIKey of 1-(5-chloropentyl)-4,5-dimethylimidazole?
The InChIKey is MCENGXSIKLSLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2/c1-9-10(2)13(8-12-9)7-5-3-4-6-11/h8H,3-7H2,1-2H3.
What are the key properties of 1-(5-chloropentyl)-4,5-dimethylimidazole?
1-(5-chloropentyl)-4,5-dimethylimidazole has a molecular weight of 200.71 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentyl)-4,5-dimethylimidazole is sourced from PubChem (CID 62349844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).