5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole

C10H17ClN2 — CID 66149387

IUPAC5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole
SMILESCC(C)C(C)Cn1cncc1CCl
InChIInChI=1S/C10H17ClN2/c1-8(2)9(3)6-13-7-12-5-10(13)4-11/h5,7-9H,4,6H2,1-3H3
InChIKeyFCOHFOYQUYXCDO-UHFFFAOYSA-N
MW200.71 g/mol
LogP2.91
Rot. Bonds4

About 5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole

5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole (PubChem CID 66149387) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole
PubChem CID66149387
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole
SMILESCC(C)C(C)Cn1cncc1CCl
InChIInChI=1S/C10H17ClN2/c1-8(2)9(3)6-13-7-12-5-10(13)4-11/h5,7-9H,4,6H2,1-3H3
InChIKeyFCOHFOYQUYXCDO-UHFFFAOYSA-N
XLogP2.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-Butyl-5-methyl-1H-imidazole
CID 426631
1H-Imidazole, 1-butyl-4-methyl
CID 529330
4-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride
CID 12147487
5-(chloromethyl)-1-methyl-1H-imidazole hydrochloride
CID 14239696
5-(chloromethyl)-1-cyclopropyl-1H-imidazole hydrochloride
CID 22938566
5-(Chloromethyl)-1-Ethyl-1H-Imidazole Hydrochloride
CID 22938740
5-(Chloromethyl)-1-cyclohexyl-1H-imidazole hydrochloride
CID 53398878
2-chloro-1,5-dimethyl-1H-imidazole
CID 60069416
4-(Chloromethyl)-1-methyl-1H-imidazole
CID 12147488
1H-Imidazole, 1-ethyl-4-methyl
CID 529331
1-Ethyl-5-methyl-1h-imidazole
CID 529333
1H-Imidazole, 4-methyl-1-pentyl
CID 529337

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole?
The IUPAC name of 5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole (CID 66149387) is 5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole.
What is the SMILES notation for 5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole?
The canonical SMILES for 5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole is CC(C)C(C)Cn1cncc1CCl.
What is the InChIKey of 5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole?
The InChIKey is FCOHFOYQUYXCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2/c1-8(2)9(3)6-13-7-12-5-10(13)4-11/h5,7-9H,4,6H2,1-3H3.
What are the key properties of 5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole?
5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole has a molecular weight of 200.71 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole is sourced from PubChem (CID 66149387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).