2-(3-chlorocyclopenten-1-yl)-1-methylimidazole

C9H11ClN2 — CID 65176594

IUPAC2-(3-chlorocyclopenten-1-yl)-1-methylimidazole
SMILESCn1ccnc1C1=CC(Cl)CC1
InChIInChI=1S/C9H11ClN2/c1-12-5-4-11-9(12)7-2-3-8(10)6-7/h4-6,8H,2-3H2,1H3
InChIKeyQSMGULVKXVKGAL-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.20
Rot. Bonds1

About 2-(3-chlorocyclopenten-1-yl)-1-methylimidazole

2-(3-chlorocyclopenten-1-yl)-1-methylimidazole (PubChem CID 65176594) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-(3-chlorocyclopenten-1-yl)-1-methylimidazole.

Molecular Properties

Compound Name2-(3-chlorocyclopenten-1-yl)-1-methylimidazole
PubChem CID65176594
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name2-(3-chlorocyclopenten-1-yl)-1-methylimidazole
SMILESCn1ccnc1C1=CC(Cl)CC1
InChIInChI=1S/C9H11ClN2/c1-12-5-4-11-9(12)7-2-3-8(10)6-7/h4-6,8H,2-3H2,1H3
InChIKeyQSMGULVKXVKGAL-UHFFFAOYSA-N
XLogP2.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-chlorocyclopenten-1-yl)-1-methylimidazole?
The IUPAC name of 2-(3-chlorocyclopenten-1-yl)-1-methylimidazole (CID 65176594) is 2-(3-chlorocyclopenten-1-yl)-1-methylimidazole.
What is the SMILES notation for 2-(3-chlorocyclopenten-1-yl)-1-methylimidazole?
The canonical SMILES for 2-(3-chlorocyclopenten-1-yl)-1-methylimidazole is Cn1ccnc1C1=CC(Cl)CC1.
What is the InChIKey of 2-(3-chlorocyclopenten-1-yl)-1-methylimidazole?
The InChIKey is QSMGULVKXVKGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-12-5-4-11-9(12)7-2-3-8(10)6-7/h4-6,8H,2-3H2,1H3.
What are the key properties of 2-(3-chlorocyclopenten-1-yl)-1-methylimidazole?
2-(3-chlorocyclopenten-1-yl)-1-methylimidazole has a molecular weight of 182.65 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorocyclopenten-1-yl)-1-methylimidazole is sourced from PubChem (CID 65176594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).