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

C17H15F2N3 — CID 1096489

IUPAC5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
SMILESCn1c(-c2ccc(F)cc2)cnc1NCc1ccc(F)cc1
InChIInChI=1S/C17H15F2N3/c1-22-16(13-4-8-15(19)9-5-13)11-21-17(22)20-10-12-2-6-14(18)7-3-12/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyBPOLNIQRAQRPDW-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.98
Rot. Bonds4

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

5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine (PubChem CID 1096489) has the molecular formula C17H15F2N3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
PubChem CID1096489
Molecular FormulaC17H15F2N3
Molecular Weight299.32 g/mol
Exact Mass299.12
IUPAC Name5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
SMILESCn1c(-c2ccc(F)cc2)cnc1NCc1ccc(F)cc1
InChIInChI=1S/C17H15F2N3/c1-22-16(13-4-8-15(19)9-5-13)11-21-17(22)20-10-12-2-6-14(18)7-3-12/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyBPOLNIQRAQRPDW-UHFFFAOYSA-N
XLogP3.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine (CID 1096489) is 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine is Cn1c(-c2ccc(F)cc2)cnc1NCc1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine?
The InChIKey is BPOLNIQRAQRPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3/c1-22-16(13-4-8-15(19)9-5-13)11-21-17(22)20-10-12-2-6-14(18)7-3-12/h2-9,11H,10H2,1H3,(H,20,21).
What are the key properties of 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine?
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine has a molecular weight of 299.32 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 1096489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).