1-[(2-chloro-4-cyclopropylphenyl)methyl]-4-fluoroimidazole

C13H12ClFN2 — CID 167287525

IUPAC1-[(2-chloro-4-cyclopropylphenyl)methyl]-4-fluoroimidazole
SMILESFc1cn(Cc2ccc(C3CC3)cc2Cl)cn1
InChIInChI=1S/C13H12ClFN2/c14-12-5-10(9-1-2-9)3-4-11(12)6-17-7-13(15)16-8-17/h3-5,7-9H,1-2,6H2
InChIKeyXQRRHDICUBTTNE-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.60
Rot. Bonds3

About 1-[(2-chloro-4-cyclopropylphenyl)methyl]-4-fluoroimidazole

1-[(2-chloro-4-cyclopropylphenyl)methyl]-4-fluoroimidazole (PubChem CID 167287525) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 1-[(2-chloro-4-cyclopropylphenyl)methyl]-4-fluoroimidazole.

Molecular Properties

Compound Name1-[(2-chloro-4-cyclopropylphenyl)methyl]-4-fluoroimidazole
PubChem CID167287525
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name1-[(2-chloro-4-cyclopropylphenyl)methyl]-4-fluoroimidazole
SMILESFc1cn(Cc2ccc(C3CC3)cc2Cl)cn1
InChIInChI=1S/C13H12ClFN2/c14-12-5-10(9-1-2-9)3-4-11(12)6-17-7-13(15)16-8-17/h3-5,7-9H,1-2,6H2
InChIKeyXQRRHDICUBTTNE-UHFFFAOYSA-N
XLogP3.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-cyclopropylphenyl)methyl]-4-fluoroimidazole?
The IUPAC name of 1-[(2-chloro-4-cyclopropylphenyl)methyl]-4-fluoroimidazole (CID 167287525) is 1-[(2-chloro-4-cyclopropylphenyl)methyl]-4-fluoroimidazole.
What is the SMILES notation for 1-[(2-chloro-4-cyclopropylphenyl)methyl]-4-fluoroimidazole?
The canonical SMILES for 1-[(2-chloro-4-cyclopropylphenyl)methyl]-4-fluoroimidazole is Fc1cn(Cc2ccc(C3CC3)cc2Cl)cn1.
What is the InChIKey of 1-[(2-chloro-4-cyclopropylphenyl)methyl]-4-fluoroimidazole?
The InChIKey is XQRRHDICUBTTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c14-12-5-10(9-1-2-9)3-4-11(12)6-17-7-13(15)16-8-17/h3-5,7-9H,1-2,6H2.
What are the key properties of 1-[(2-chloro-4-cyclopropylphenyl)methyl]-4-fluoroimidazole?
1-[(2-chloro-4-cyclopropylphenyl)methyl]-4-fluoroimidazole has a molecular weight of 250.70 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-cyclopropylphenyl)methyl]-4-fluoroimidazole is sourced from PubChem (CID 167287525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).