1-[(4-chlorophenyl)methyl]imidazole

C10H9ClN2 — CID 2779191

IUPAC1-[(4-chlorophenyl)methyl]imidazole
SMILESClc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C10H9ClN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
InChIKeyRPLWYOLCHGTNSX-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.58
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]imidazole

1-[(4-chlorophenyl)methyl]imidazole (PubChem CID 2779191) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]imidazole
PubChem CID2779191
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name1-[(4-chlorophenyl)methyl]imidazole
SMILESClc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C10H9ClN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
InChIKeyRPLWYOLCHGTNSX-UHFFFAOYSA-N
XLogP2.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]imidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]imidazole (CID 2779191) is 1-[(4-chlorophenyl)methyl]imidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]imidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]imidazole is Clc1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]imidazole?
The InChIKey is RPLWYOLCHGTNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]imidazole?
1-[(4-chlorophenyl)methyl]imidazole has a molecular weight of 192.65 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]imidazole is sourced from PubChem (CID 2779191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).