[3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine

C17H13Cl3FN3 — CID 24764792

IUPAC[3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine
SMILESNCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H13Cl3FN3/c18-10-4-5-11(14(20)6-10)17-16(7-22)24(9-23-17)8-12-13(19)2-1-3-15(12)21/h1-6,9H,7-8,22H2
InChIKeyJPUOCYZSGNIZBR-UHFFFAOYSA-N
MW384.67 g/mol
LogP5.16
Rot. Bonds4

About [3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine

[3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine (PubChem CID 24764792) has the molecular formula C17H13Cl3FN3 and a molecular weight of 384.67 g/mol. Its IUPAC name is [3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine
PubChem CID24764792
Molecular FormulaC17H13Cl3FN3
Molecular Weight384.67 g/mol
Exact Mass383.02
IUPAC Name[3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine
SMILESNCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H13Cl3FN3/c18-10-4-5-11(14(20)6-10)17-16(7-22)24(9-23-17)8-12-13(19)2-1-3-15(12)21/h1-6,9H,7-8,22H2
InChIKeyJPUOCYZSGNIZBR-UHFFFAOYSA-N
XLogP5.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.67
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine?
The IUPAC name of [3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine (CID 24764792) is [3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine is NCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1c(F)cccc1Cl.
What is the InChIKey of [3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine?
The InChIKey is JPUOCYZSGNIZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3FN3/c18-10-4-5-11(14(20)6-10)17-16(7-22)24(9-23-17)8-12-13(19)2-1-3-15(12)21/h1-6,9H,7-8,22H2.
What are the key properties of [3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine?
[3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine has a molecular weight of 384.67 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 24764792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).