1-[2-(2-chlorophenyl)heptyl]imidazole

C16H21ClN2 — CID 3006824

IUPAC1-[2-(2-chlorophenyl)heptyl]imidazole
SMILESCCCCCC(Cn1ccnc1)c1ccccc1Cl
InChIInChI=1S/C16H21ClN2/c1-2-3-4-7-14(12-19-11-10-18-13-19)15-8-5-6-9-16(15)17/h5-6,8-11,13-14H,2-4,7,12H2,1H3
InChIKeyJOUCYIZGJAXITJ-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.90
Rot. Bonds7

About 1-[2-(2-chlorophenyl)heptyl]imidazole

1-[2-(2-chlorophenyl)heptyl]imidazole (PubChem CID 3006824) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)heptyl]imidazole.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)heptyl]imidazole
PubChem CID3006824
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name1-[2-(2-chlorophenyl)heptyl]imidazole
SMILESCCCCCC(Cn1ccnc1)c1ccccc1Cl
InChIInChI=1S/C16H21ClN2/c1-2-3-4-7-14(12-19-11-10-18-13-19)15-8-5-6-9-16(15)17/h5-6,8-11,13-14H,2-4,7,12H2,1H3
InChIKeyJOUCYIZGJAXITJ-UHFFFAOYSA-N
XLogP4.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)heptyl]imidazole?
The IUPAC name of 1-[2-(2-chlorophenyl)heptyl]imidazole (CID 3006824) is 1-[2-(2-chlorophenyl)heptyl]imidazole.
What is the SMILES notation for 1-[2-(2-chlorophenyl)heptyl]imidazole?
The canonical SMILES for 1-[2-(2-chlorophenyl)heptyl]imidazole is CCCCCC(Cn1ccnc1)c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)heptyl]imidazole?
The InChIKey is JOUCYIZGJAXITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-2-3-4-7-14(12-19-11-10-18-13-19)15-8-5-6-9-16(15)17/h5-6,8-11,13-14H,2-4,7,12H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)heptyl]imidazole?
1-[2-(2-chlorophenyl)heptyl]imidazole has a molecular weight of 276.81 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)heptyl]imidazole is sourced from PubChem (CID 3006824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).