2-(2-chloro-4,4-dimethylpentyl)-1H-imidazole

C10H17ClN2 — CID 61084429

IUPAC2-(2-chloro-4,4-dimethylpentyl)-1H-imidazole
SMILESCC(C)(C)CC(Cl)Cc1ncc[nH]1
InChIInChI=1S/C10H17ClN2/c1-10(2,3)7-8(11)6-9-12-4-5-13-9/h4-5,8H,6-7H2,1-3H3,(H,12,13)
InChIKeyQQWQFUXNPZORNO-UHFFFAOYSA-N
MW200.71 g/mol
LogP3.00
Rot. Bonds3

About 2-(2-chloro-4,4-dimethylpentyl)-1H-imidazole

2-(2-chloro-4,4-dimethylpentyl)-1H-imidazole (PubChem CID 61084429) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is 2-(2-chloro-4,4-dimethylpentyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-chloro-4,4-dimethylpentyl)-1H-imidazole
PubChem CID61084429
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name2-(2-chloro-4,4-dimethylpentyl)-1H-imidazole
SMILESCC(C)(C)CC(Cl)Cc1ncc[nH]1
InChIInChI=1S/C10H17ClN2/c1-10(2,3)7-8(11)6-9-12-4-5-13-9/h4-5,8H,6-7H2,1-3H3,(H,12,13)
InChIKeyQQWQFUXNPZORNO-UHFFFAOYSA-N
XLogP3.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,4-dimethylpentyl)-1H-imidazole?
The IUPAC name of 2-(2-chloro-4,4-dimethylpentyl)-1H-imidazole (CID 61084429) is 2-(2-chloro-4,4-dimethylpentyl)-1H-imidazole.
What is the SMILES notation for 2-(2-chloro-4,4-dimethylpentyl)-1H-imidazole?
The canonical SMILES for 2-(2-chloro-4,4-dimethylpentyl)-1H-imidazole is CC(C)(C)CC(Cl)Cc1ncc[nH]1.
What is the InChIKey of 2-(2-chloro-4,4-dimethylpentyl)-1H-imidazole?
The InChIKey is QQWQFUXNPZORNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2/c1-10(2,3)7-8(11)6-9-12-4-5-13-9/h4-5,8H,6-7H2,1-3H3,(H,12,13).
What are the key properties of 2-(2-chloro-4,4-dimethylpentyl)-1H-imidazole?
2-(2-chloro-4,4-dimethylpentyl)-1H-imidazole has a molecular weight of 200.71 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,4-dimethylpentyl)-1H-imidazole is sourced from PubChem (CID 61084429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).