N-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-1-methylimidazol-2-amine

C17H14F3N3 — CID 1096493

IUPACN-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-1-methylimidazol-2-amine
SMILESCn1c(-c2ccc(F)cc2)cnc1NCc1ccc(F)cc1F
InChIInChI=1S/C17H14F3N3/c1-23-16(11-2-5-13(18)6-3-11)10-22-17(23)21-9-12-4-7-14(19)8-15(12)20/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyRXHGKLGHSLKWFK-UHFFFAOYSA-N
MW317.31 g/mol
LogP4.12
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-1-methylimidazol-2-amine

N-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-1-methylimidazol-2-amine (PubChem CID 1096493) has the molecular formula C17H14F3N3 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-1-methylimidazol-2-amine
PubChem CID1096493
Molecular FormulaC17H14F3N3
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC NameN-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-1-methylimidazol-2-amine
SMILESCn1c(-c2ccc(F)cc2)cnc1NCc1ccc(F)cc1F
InChIInChI=1S/C17H14F3N3/c1-23-16(11-2-5-13(18)6-3-11)10-22-17(23)21-9-12-4-7-14(19)8-15(12)20/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyRXHGKLGHSLKWFK-UHFFFAOYSA-N
XLogP4.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-1-methylimidazol-2-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-1-methylimidazol-2-amine (CID 1096493) is N-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-1-methylimidazol-2-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-1-methylimidazol-2-amine is Cn1c(-c2ccc(F)cc2)cnc1NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-1-methylimidazol-2-amine?
The InChIKey is RXHGKLGHSLKWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3/c1-23-16(11-2-5-13(18)6-3-11)10-22-17(23)21-9-12-4-7-14(19)8-15(12)20/h2-8,10H,9H2,1H3,(H,21,22).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-1-methylimidazol-2-amine?
N-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-1-methylimidazol-2-amine has a molecular weight of 317.31 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 1096493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).