2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile

C15H10F2N4 — CID 104718933

IUPAC2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2c1nc(N)n2Cc1ccc(F)cc1F
InChIInChI=1S/C15H10F2N4/c16-11-5-4-10(12(17)6-11)8-21-13-3-1-2-9(7-18)14(13)20-15(21)19/h1-6H,8H2,(H2,19,20)
InChIKeyAEBPBCWGULUXDJ-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.82
Rot. Bonds2

About 2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile

2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile (PubChem CID 104718933) has the molecular formula C15H10F2N4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile
PubChem CID104718933
Molecular FormulaC15H10F2N4
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC Name2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2c1nc(N)n2Cc1ccc(F)cc1F
InChIInChI=1S/C15H10F2N4/c16-11-5-4-10(12(17)6-11)8-21-13-3-1-2-9(7-18)14(13)20-15(21)19/h1-6H,8H2,(H2,19,20)
InChIKeyAEBPBCWGULUXDJ-UHFFFAOYSA-N
XLogP2.82
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile (CID 104718933) is 2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile is N#Cc1cccc2c1nc(N)n2Cc1ccc(F)cc1F.
What is the InChIKey of 2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile?
The InChIKey is AEBPBCWGULUXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4/c16-11-5-4-10(12(17)6-11)8-21-13-3-1-2-9(7-18)14(13)20-15(21)19/h1-6H,8H2,(H2,19,20).
What are the key properties of 2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile?
2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile has a molecular weight of 284.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile is sourced from PubChem (CID 104718933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).