1-[(2,4-difluorophenyl)methyl]-N-(furan-2-ylmethyl)benzimidazol-2-amine

C19H15F2N3O — CID 155557389

IUPAC1-[(2,4-difluorophenyl)methyl]-N-(furan-2-ylmethyl)benzimidazol-2-amine
SMILESFc1ccc(Cn2c(NCc3ccco3)nc3ccccc32)c(F)c1
InChIInChI=1S/C19H15F2N3O/c20-14-8-7-13(16(21)10-14)12-24-18-6-2-1-5-17(18)23-19(24)22-11-15-4-3-9-25-15/h1-10H,11-12H2,(H,22,23)
InChIKeyOAYASNFOXGLCMJ-UHFFFAOYSA-N
MW339.35 g/mol
LogP4.57
Rot. Bonds5

About 1-[(2,4-difluorophenyl)methyl]-N-(furan-2-ylmethyl)benzimidazol-2-amine

1-[(2,4-difluorophenyl)methyl]-N-(furan-2-ylmethyl)benzimidazol-2-amine (PubChem CID 155557389) has the molecular formula C19H15F2N3O and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-N-(furan-2-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-N-(furan-2-ylmethyl)benzimidazol-2-amine
PubChem CID155557389
Molecular FormulaC19H15F2N3O
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name1-[(2,4-difluorophenyl)methyl]-N-(furan-2-ylmethyl)benzimidazol-2-amine
SMILESFc1ccc(Cn2c(NCc3ccco3)nc3ccccc32)c(F)c1
InChIInChI=1S/C19H15F2N3O/c20-14-8-7-13(16(21)10-14)12-24-18-6-2-1-5-17(18)23-19(24)22-11-15-4-3-9-25-15/h1-10H,11-12H2,(H,22,23)
InChIKeyOAYASNFOXGLCMJ-UHFFFAOYSA-N
XLogP4.57
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-(furan-2-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-(furan-2-ylmethyl)benzimidazol-2-amine (CID 155557389) is 1-[(2,4-difluorophenyl)methyl]-N-(furan-2-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-N-(furan-2-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-N-(furan-2-ylmethyl)benzimidazol-2-amine is Fc1ccc(Cn2c(NCc3ccco3)nc3ccccc32)c(F)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-N-(furan-2-ylmethyl)benzimidazol-2-amine?
The InChIKey is OAYASNFOXGLCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O/c20-14-8-7-13(16(21)10-14)12-24-18-6-2-1-5-17(18)23-19(24)22-11-15-4-3-9-25-15/h1-10H,11-12H2,(H,22,23).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-N-(furan-2-ylmethyl)benzimidazol-2-amine?
1-[(2,4-difluorophenyl)methyl]-N-(furan-2-ylmethyl)benzimidazol-2-amine has a molecular weight of 339.35 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-N-(furan-2-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 155557389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).