1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine

C14H12F3N3O — CID 115502083

IUPAC1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
SMILESCc1ccc(Cn2c(N)nc3cc(C(F)(F)F)ccc32)o1
InChIInChI=1S/C14H12F3N3O/c1-8-2-4-10(21-8)7-20-12-5-3-9(14(15,16)17)6-11(12)19-13(20)18/h2-6H,7H2,1H3,(H2,18,19)
InChIKeyAAYYVZHYSOKRFN-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.59
Rot. Bonds2

About 1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine

1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine (PubChem CID 115502083) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
PubChem CID115502083
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
SMILESCc1ccc(Cn2c(N)nc3cc(C(F)(F)F)ccc32)o1
InChIInChI=1S/C14H12F3N3O/c1-8-2-4-10(21-8)7-20-12-5-3-9(14(15,16)17)6-11(12)19-13(20)18/h2-6H,7H2,1H3,(H2,18,19)
InChIKeyAAYYVZHYSOKRFN-UHFFFAOYSA-N
XLogP3.59
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine?
The IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine (CID 115502083) is 1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine is Cc1ccc(Cn2c(N)nc3cc(C(F)(F)F)ccc32)o1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine?
The InChIKey is AAYYVZHYSOKRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-8-2-4-10(21-8)7-20-12-5-3-9(14(15,16)17)6-11(12)19-13(20)18/h2-6H,7H2,1H3,(H2,18,19).
What are the key properties of 1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine?
1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine has a molecular weight of 295.26 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine is sourced from PubChem (CID 115502083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).