5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-1-cyclopropylimidazole

C10H13ClN2O2 — CID 82775389

IUPAC5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-1-cyclopropylimidazole
SMILESClCC1COC(c2cncn2C2CC2)O1
InChIInChI=1S/C10H13ClN2O2/c11-3-8-5-14-10(15-8)9-4-12-6-13(9)7-1-2-7/h4,6-8,10H,1-3,5H2
InChIKeySEFOFJYPDTXOIP-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.87
Rot. Bonds3

About 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-1-cyclopropylimidazole

5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-1-cyclopropylimidazole (PubChem CID 82775389) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-1-cyclopropylimidazole.

Molecular Properties

Compound Name5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-1-cyclopropylimidazole
PubChem CID82775389
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-1-cyclopropylimidazole
SMILESClCC1COC(c2cncn2C2CC2)O1
InChIInChI=1S/C10H13ClN2O2/c11-3-8-5-14-10(15-8)9-4-12-6-13(9)7-1-2-7/h4,6-8,10H,1-3,5H2
InChIKeySEFOFJYPDTXOIP-UHFFFAOYSA-N
XLogP1.87
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-4-(chloromethyl)-2-(5-methylthiophen-2-yl)-1,3-dioxolane
CID 97301275
5-chloro-1-cyclopropylimidazole
CID 169168171
4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione
CID 66140663
2-amino-4-(3-cyclopropylimidazol-4-yl)-1,4-dihydroimidazol-5-one
CID 82996219
1-[4-cyclopropyl-3-(3-cyclopropylimidazol-4-yl)morpholin-2-yl]-N-methylmethanamine
CID 66162950
5-(chloromethyl)-1-(4-ethylcyclohexyl)imidazole
CID 66150209
5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride
CID 53398878
4-amino-5-(3-cyclopropylimidazol-4-yl)-1,5-dihydroimidazol-2-one
CID 79959420
4-(chloromethyl)-2-(5-ethylthiophen-2-yl)-1,3-dioxolane
CID 82775608
2-(4-chloro-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane
CID 114867994
4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one
CID 66140674
[3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine
CID 66161936

Frequently Asked Questions

What is the IUPAC name of 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-1-cyclopropylimidazole?
The IUPAC name of 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-1-cyclopropylimidazole (CID 82775389) is 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-1-cyclopropylimidazole.
What is the SMILES notation for 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-1-cyclopropylimidazole?
The canonical SMILES for 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-1-cyclopropylimidazole is ClCC1COC(c2cncn2C2CC2)O1.
What is the InChIKey of 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-1-cyclopropylimidazole?
The InChIKey is SEFOFJYPDTXOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-3-8-5-14-10(15-8)9-4-12-6-13(9)7-1-2-7/h4,6-8,10H,1-3,5H2.
What are the key properties of 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-1-cyclopropylimidazole?
5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-1-cyclopropylimidazole has a molecular weight of 228.68 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-1-cyclopropylimidazole is sourced from PubChem (CID 82775389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).