2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole

C14H23ClN2 — CID 79762031

IUPAC2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole
SMILESCCCn1ccnc1CC1CCCCCC1Cl
InChIInChI=1S/C14H23ClN2/c1-2-9-17-10-8-16-14(17)11-12-6-4-3-5-7-13(12)15/h8,10,12-13H,2-7,9,11H2,1H3
InChIKeyPBAIBEIPFCZXMX-UHFFFAOYSA-N
MW254.80 g/mol
LogP4.02
Rot. Bonds4

About 2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole

2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole (PubChem CID 79762031) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole.

Molecular Properties

Compound Name2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole
PubChem CID79762031
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole
SMILESCCCn1ccnc1CC1CCCCCC1Cl
InChIInChI=1S/C14H23ClN2/c1-2-9-17-10-8-16-14(17)11-12-6-4-3-5-7-13(12)15/h8,10,12-13H,2-7,9,11H2,1H3
InChIKeyPBAIBEIPFCZXMX-UHFFFAOYSA-N
XLogP4.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 54.02
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-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79760679
N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81025079
2-[(3-chlorocyclopentyl)methyl]-1-propylimidazole
CID 79761339
2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole
CID 114531139
N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026464
2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81022292
N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
CID 46784421
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471
1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012316
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81394730
3-methyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 62955948

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole?
The IUPAC name of 2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole (CID 79762031) is 2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole.
What is the SMILES notation for 2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole?
The canonical SMILES for 2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole is CCCn1ccnc1CC1CCCCCC1Cl.
What is the InChIKey of 2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole?
The InChIKey is PBAIBEIPFCZXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-2-9-17-10-8-16-14(17)11-12-6-4-3-5-7-13(12)15/h8,10,12-13H,2-7,9,11H2,1H3.
What are the key properties of 2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole?
2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole has a molecular weight of 254.80 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole is sourced from PubChem (CID 79762031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).