2-(3-chlorophenyl)-1-methylimidazole

C10H9ClN2 — CID 57277272

IUPAC2-(3-chlorophenyl)-1-methylimidazole
SMILESCn1ccnc1-c1cccc(Cl)c1
InChIInChI=1S/C10H9ClN2/c1-13-6-5-12-10(13)8-3-2-4-9(11)7-8/h2-7H,1H3
InChIKeyOOPHKHMUHBTHND-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.74
Rot. Bonds1

About 2-(3-chlorophenyl)-1-methylimidazole

2-(3-chlorophenyl)-1-methylimidazole (PubChem CID 57277272) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-methylimidazole
PubChem CID57277272
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name2-(3-chlorophenyl)-1-methylimidazole
SMILESCn1ccnc1-c1cccc(Cl)c1
InChIInChI=1S/C10H9ClN2/c1-13-6-5-12-10(13)8-3-2-4-9(11)7-8/h2-7H,1H3
InChIKeyOOPHKHMUHBTHND-UHFFFAOYSA-N
XLogP2.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-methylimidazole?
The IUPAC name of 2-(3-chlorophenyl)-1-methylimidazole (CID 57277272) is 2-(3-chlorophenyl)-1-methylimidazole.
What is the SMILES notation for 2-(3-chlorophenyl)-1-methylimidazole?
The canonical SMILES for 2-(3-chlorophenyl)-1-methylimidazole is Cn1ccnc1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-methylimidazole?
The InChIKey is OOPHKHMUHBTHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c1-13-6-5-12-10(13)8-3-2-4-9(11)7-8/h2-7H,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-methylimidazole?
2-(3-chlorophenyl)-1-methylimidazole has a molecular weight of 192.65 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-methylimidazole is sourced from PubChem (CID 57277272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).