5-(chloromethyl)-1-(3-methylpentan-2-yl)imidazole

C10H17ClN2 — CID 66149787

IUPAC5-(chloromethyl)-1-(3-methylpentan-2-yl)imidazole
SMILESCCC(C)C(C)n1cncc1CCl
InChIInChI=1S/C10H17ClN2/c1-4-8(2)9(3)13-7-12-6-10(13)5-11/h6-9H,4-5H2,1-3H3
InChIKeyFUAUJCHMDICORB-UHFFFAOYSA-N
MW200.71 g/mol
LogP3.23
Rot. Bonds4

About 5-(chloromethyl)-1-(3-methylpentan-2-yl)imidazole

5-(chloromethyl)-1-(3-methylpentan-2-yl)imidazole (PubChem CID 66149787) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(3-methylpentan-2-yl)imidazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-(3-methylpentan-2-yl)imidazole
PubChem CID66149787
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name5-(chloromethyl)-1-(3-methylpentan-2-yl)imidazole
SMILESCCC(C)C(C)n1cncc1CCl
InChIInChI=1S/C10H17ClN2/c1-4-8(2)9(3)13-7-12-6-10(13)5-11/h6-9H,4-5H2,1-3H3
InChIKeyFUAUJCHMDICORB-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
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

5-(chloromethyl)-1-(3-ethylpentan-2-yl)imidazole
CID 66151469
2-methoxy-N-[[3-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66148404
3-(3-methylpentan-2-yl)imidazole-4-carbaldehyde
CID 66146373
5-(chloromethyl)-1-(1-methylsulfonylpropan-2-yl)imidazole
CID 66149591
5-(chloromethyl)-1-[1-(4-methylphenyl)ethyl]imidazole
CID 66152074
3-[1-[5-(chloromethyl)imidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole
CID 66151462
5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole
CID 66149387
4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine
CID 114704625
1-propan-2-yl-5-propylimidazole
CID 139308338
3-chloro-4-(3-methylpentan-2-yl)-1,2,4-triazole
CID 63385803
(1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104942446
5-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole
CID 66149183

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-(3-methylpentan-2-yl)imidazole?
The IUPAC name of 5-(chloromethyl)-1-(3-methylpentan-2-yl)imidazole (CID 66149787) is 5-(chloromethyl)-1-(3-methylpentan-2-yl)imidazole.
What is the SMILES notation for 5-(chloromethyl)-1-(3-methylpentan-2-yl)imidazole?
The canonical SMILES for 5-(chloromethyl)-1-(3-methylpentan-2-yl)imidazole is CCC(C)C(C)n1cncc1CCl.
What is the InChIKey of 5-(chloromethyl)-1-(3-methylpentan-2-yl)imidazole?
The InChIKey is FUAUJCHMDICORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2/c1-4-8(2)9(3)13-7-12-6-10(13)5-11/h6-9H,4-5H2,1-3H3.
What are the key properties of 5-(chloromethyl)-1-(3-methylpentan-2-yl)imidazole?
5-(chloromethyl)-1-(3-methylpentan-2-yl)imidazole has a molecular weight of 200.71 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(3-methylpentan-2-yl)imidazole is sourced from PubChem (CID 66149787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).