4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-fluoroaniline

C11H10Cl2FN3 — CID 60686179

IUPAC4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-fluoroaniline
SMILESCn1c(Cl)cnc1CNc1ccc(Cl)cc1F
InChIInChI=1S/C11H10Cl2FN3/c1-17-10(13)5-16-11(17)6-15-9-3-2-7(12)4-8(9)14/h2-5,15H,6H2,1H3
InChIKeyMXQQACCIRYIGEE-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.48
Rot. Bonds3

About 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-fluoroaniline

4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-fluoroaniline (PubChem CID 60686179) has the molecular formula C11H10Cl2FN3 and a molecular weight of 274.13 g/mol. Its IUPAC name is 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-fluoroaniline
PubChem CID60686179
Molecular FormulaC11H10Cl2FN3
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-fluoroaniline
SMILESCn1c(Cl)cnc1CNc1ccc(Cl)cc1F
InChIInChI=1S/C11H10Cl2FN3/c1-17-10(13)5-16-11(17)6-15-9-3-2-7(12)4-8(9)14/h2-5,15H,6H2,1H3
InChIKeyMXQQACCIRYIGEE-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-fluoroaniline?
The IUPAC name of 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-fluoroaniline (CID 60686179) is 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-fluoroaniline?
The canonical SMILES for 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-fluoroaniline is Cn1c(Cl)cnc1CNc1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-fluoroaniline?
The InChIKey is MXQQACCIRYIGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FN3/c1-17-10(13)5-16-11(17)6-15-9-3-2-7(12)4-8(9)14/h2-5,15H,6H2,1H3.
What are the key properties of 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-fluoroaniline?
4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-fluoroaniline has a molecular weight of 274.13 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 60686179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).