2-[(3-chlorocyclopentyl)methyl]-1-propylimidazole

C12H19ClN2 — CID 79761339

IUPAC2-[(3-chlorocyclopentyl)methyl]-1-propylimidazole
SMILESCCCn1ccnc1CC1CCC(Cl)C1
InChIInChI=1S/C12H19ClN2/c1-2-6-15-7-5-14-12(15)9-10-3-4-11(13)8-10/h5,7,10-11H,2-4,6,8-9H2,1H3
InChIKeyBZBGXQAPPMGJGQ-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.24
Rot. Bonds4

About 2-[(3-chlorocyclopentyl)methyl]-1-propylimidazole

2-[(3-chlorocyclopentyl)methyl]-1-propylimidazole (PubChem CID 79761339) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 2-[(3-chlorocyclopentyl)methyl]-1-propylimidazole.

Molecular Properties

Compound Name2-[(3-chlorocyclopentyl)methyl]-1-propylimidazole
PubChem CID79761339
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name2-[(3-chlorocyclopentyl)methyl]-1-propylimidazole
SMILESCCCn1ccnc1CC1CCC(Cl)C1
InChIInChI=1S/C12H19ClN2/c1-2-6-15-7-5-14-12(15)9-10-3-4-11(13)8-10/h5,7,10-11H,2-4,6,8-9H2,1H3
InChIKeyBZBGXQAPPMGJGQ-UHFFFAOYSA-N
XLogP3.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.24
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

2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole
CID 79762031
3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79762047
2-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79760679
1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116557654
N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81025079
1-(4-propylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79761510
1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 55153468
2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81022292
2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole
CID 79760428
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
3-methyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 62955948
(1-propylimidazol-2-yl)methanesulfonyl chloride
CID 79761559

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorocyclopentyl)methyl]-1-propylimidazole?
The IUPAC name of 2-[(3-chlorocyclopentyl)methyl]-1-propylimidazole (CID 79761339) is 2-[(3-chlorocyclopentyl)methyl]-1-propylimidazole.
What is the SMILES notation for 2-[(3-chlorocyclopentyl)methyl]-1-propylimidazole?
The canonical SMILES for 2-[(3-chlorocyclopentyl)methyl]-1-propylimidazole is CCCn1ccnc1CC1CCC(Cl)C1.
What is the InChIKey of 2-[(3-chlorocyclopentyl)methyl]-1-propylimidazole?
The InChIKey is BZBGXQAPPMGJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-2-6-15-7-5-14-12(15)9-10-3-4-11(13)8-10/h5,7,10-11H,2-4,6,8-9H2,1H3.
What are the key properties of 2-[(3-chlorocyclopentyl)methyl]-1-propylimidazole?
2-[(3-chlorocyclopentyl)methyl]-1-propylimidazole has a molecular weight of 226.75 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorocyclopentyl)methyl]-1-propylimidazole is sourced from PubChem (CID 79761339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).