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

C17H13ClF3N3 — CID 24764611

IUPAC[5-(2-chloro-4-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazol-4-yl]methanamine
SMILESNCc1c(-c2ccc(F)cc2Cl)ncn1Cc1cc(F)ccc1F
InChIInChI=1S/C17H13ClF3N3/c18-14-6-12(20)1-3-13(14)17-16(7-22)24(9-23-17)8-10-5-11(19)2-4-15(10)21/h1-6,9H,7-8,22H2
InChIKeyVTOFXLYPOMNLBB-UHFFFAOYSA-N
MW351.76 g/mol
LogP4.13
Rot. Bonds4

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

[5-(2-chloro-4-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazol-4-yl]methanamine (PubChem CID 24764611) has the molecular formula C17H13ClF3N3 and a molecular weight of 351.76 g/mol. Its IUPAC name is [5-(2-chloro-4-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-chloro-4-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazol-4-yl]methanamine
PubChem CID24764611
Molecular FormulaC17H13ClF3N3
Molecular Weight351.76 g/mol
Exact Mass351.08
IUPAC Name[5-(2-chloro-4-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazol-4-yl]methanamine
SMILESNCc1c(-c2ccc(F)cc2Cl)ncn1Cc1cc(F)ccc1F
InChIInChI=1S/C17H13ClF3N3/c18-14-6-12(20)1-3-13(14)17-16(7-22)24(9-23-17)8-10-5-11(19)2-4-15(10)21/h1-6,9H,7-8,22H2
InChIKeyVTOFXLYPOMNLBB-UHFFFAOYSA-N
XLogP4.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-4-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazol-4-yl]methanamine?
The IUPAC name of [5-(2-chloro-4-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazol-4-yl]methanamine (CID 24764611) is [5-(2-chloro-4-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-chloro-4-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [5-(2-chloro-4-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazol-4-yl]methanamine is NCc1c(-c2ccc(F)cc2Cl)ncn1Cc1cc(F)ccc1F.
What is the InChIKey of [5-(2-chloro-4-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazol-4-yl]methanamine?
The InChIKey is VTOFXLYPOMNLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3/c18-14-6-12(20)1-3-13(14)17-16(7-22)24(9-23-17)8-10-5-11(19)2-4-15(10)21/h1-6,9H,7-8,22H2.
What are the key properties of [5-(2-chloro-4-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazol-4-yl]methanamine?
[5-(2-chloro-4-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazol-4-yl]methanamine has a molecular weight of 351.76 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-4-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 24764611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).