3-butyl-4-chloro-1,2-dihydroimidazole

C7H13ClN2 — CID 174297650

IUPAC3-butyl-4-chloro-1,2-dihydroimidazole
SMILESCCCCN1CNC=C1Cl
InChIInChI=1S/C7H13ClN2/c1-2-3-4-10-6-9-5-7(10)8/h5,9H,2-4,6H2,1H3
InChIKeyGBYNVTGZKSKIRT-UHFFFAOYSA-N
MW160.65 g/mol
LogP1.69
Rot. Bonds3

About 3-butyl-4-chloro-1,2-dihydroimidazole

3-butyl-4-chloro-1,2-dihydroimidazole (PubChem CID 174297650) has the molecular formula C7H13ClN2 and a molecular weight of 160.65 g/mol. Its IUPAC name is 3-butyl-4-chloro-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-butyl-4-chloro-1,2-dihydroimidazole
PubChem CID174297650
Molecular FormulaC7H13ClN2
Molecular Weight160.65 g/mol
Exact Mass160.08
IUPAC Name3-butyl-4-chloro-1,2-dihydroimidazole
SMILESCCCCN1CNC=C1Cl
InChIInChI=1S/C7H13ClN2/c1-2-3-4-10-6-9-5-7(10)8/h5,9H,2-4,6H2,1H3
InChIKeyGBYNVTGZKSKIRT-UHFFFAOYSA-N
XLogP1.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.65
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-chloro-1,2-dihydroimidazole?
The IUPAC name of 3-butyl-4-chloro-1,2-dihydroimidazole (CID 174297650) is 3-butyl-4-chloro-1,2-dihydroimidazole.
What is the SMILES notation for 3-butyl-4-chloro-1,2-dihydroimidazole?
The canonical SMILES for 3-butyl-4-chloro-1,2-dihydroimidazole is CCCCN1CNC=C1Cl.
What is the InChIKey of 3-butyl-4-chloro-1,2-dihydroimidazole?
The InChIKey is GBYNVTGZKSKIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2/c1-2-3-4-10-6-9-5-7(10)8/h5,9H,2-4,6H2,1H3.
What are the key properties of 3-butyl-4-chloro-1,2-dihydroimidazole?
3-butyl-4-chloro-1,2-dihydroimidazole has a molecular weight of 160.65 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-chloro-1,2-dihydroimidazole is sourced from PubChem (CID 174297650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).