3-methyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-benzimidazol-2-one

C19H13F3N2O2 — CID 167854157

IUPAC3-methyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2ccc(-c3ccc(-c4ccccc4C(F)(F)F)o3)cc21
InChIInChI=1S/C19H13F3N2O2/c1-24-15-10-11(6-7-14(15)23-18(24)25)16-8-9-17(26-16)12-4-2-3-5-13(12)19(20,21)22/h2-10H,1H3,(H,23,25)
InChIKeyWPKDKOYNMMCPQY-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.81
Rot. Bonds2

About 3-methyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-benzimidazol-2-one

3-methyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-benzimidazol-2-one (PubChem CID 167854157) has the molecular formula C19H13F3N2O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 3-methyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-benzimidazol-2-one
PubChem CID167854157
Molecular FormulaC19H13F3N2O2
Molecular Weight358.32 g/mol
Exact Mass358.09
IUPAC Name3-methyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2ccc(-c3ccc(-c4ccccc4C(F)(F)F)o3)cc21
InChIInChI=1S/C19H13F3N2O2/c1-24-15-10-11(6-7-14(15)23-18(24)25)16-8-9-17(26-16)12-4-2-3-5-13(12)19(20,21)22/h2-10H,1H3,(H,23,25)
InChIKeyWPKDKOYNMMCPQY-UHFFFAOYSA-N
XLogP4.81
TPSA50.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-methyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-benzimidazol-2-one (CID 167854157) is 3-methyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-methyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-methyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2ccc(-c3ccc(-c4ccccc4C(F)(F)F)o3)cc21.
What is the InChIKey of 3-methyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-benzimidazol-2-one?
The InChIKey is WPKDKOYNMMCPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2/c1-24-15-10-11(6-7-14(15)23-18(24)25)16-8-9-17(26-16)12-4-2-3-5-13(12)19(20,21)22/h2-10H,1H3,(H,23,25).
What are the key properties of 3-methyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-benzimidazol-2-one?
3-methyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-benzimidazol-2-one has a molecular weight of 358.32 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 167854157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).