1-(5-chloropentyl)-2-propan-2-ylimidazole

C11H19ClN2 — CID 43168520

IUPAC1-(5-chloropentyl)-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1CCCCCCl
InChIInChI=1S/C11H19ClN2/c1-10(2)11-13-7-9-14(11)8-5-3-4-6-12/h7,9-10H,3-6,8H2,1-2H3
InChIKeyRLUJGFMWASLNFW-UHFFFAOYSA-N
MW214.74 g/mol
LogP3.42
Rot. Bonds6

About 1-(5-chloropentyl)-2-propan-2-ylimidazole

1-(5-chloropentyl)-2-propan-2-ylimidazole (PubChem CID 43168520) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is 1-(5-chloropentyl)-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-(5-chloropentyl)-2-propan-2-ylimidazole
PubChem CID43168520
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC Name1-(5-chloropentyl)-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1CCCCCCl
InChIInChI=1S/C11H19ClN2/c1-10(2)11-13-7-9-14(11)8-5-3-4-6-12/h7,9-10H,3-6,8H2,1-2H3
InChIKeyRLUJGFMWASLNFW-UHFFFAOYSA-N
XLogP3.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 53.42
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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Related Compounds

1-butyl-2-propan-2-ylimidazole
CID 11506521
3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
CID 17139034
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole
CID 65097353
1-(2-fluoroethyl)-2-propan-2-ylimidazole
CID 80694983
1-(3-ethoxypropyl)-2-propan-2-ylimidazole
CID 65177942
1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole
CID 167916960
1-pent-3-ynyl-2-propan-2-ylimidazole
CID 104743992
2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806563
N-[(4-chlorophenyl)methyl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrochloride
CID 19429502
3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol
CID 106811445
(2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
CID 28794327

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentyl)-2-propan-2-ylimidazole?
The IUPAC name of 1-(5-chloropentyl)-2-propan-2-ylimidazole (CID 43168520) is 1-(5-chloropentyl)-2-propan-2-ylimidazole.
What is the SMILES notation for 1-(5-chloropentyl)-2-propan-2-ylimidazole?
The canonical SMILES for 1-(5-chloropentyl)-2-propan-2-ylimidazole is CC(C)c1nccn1CCCCCCl.
What is the InChIKey of 1-(5-chloropentyl)-2-propan-2-ylimidazole?
The InChIKey is RLUJGFMWASLNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2/c1-10(2)11-13-7-9-14(11)8-5-3-4-6-12/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 1-(5-chloropentyl)-2-propan-2-ylimidazole?
1-(5-chloropentyl)-2-propan-2-ylimidazole has a molecular weight of 214.74 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentyl)-2-propan-2-ylimidazole is sourced from PubChem (CID 43168520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).