N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide

C22H15F3N6O2 — CID 43050535

IUPACN-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C22H15F3N6O2/c23-22(24,25)15-5-8-19-18(10-15)28-21(30(19)11-17-2-1-9-33-17)29-20(32)14-3-6-16(7-4-14)31-13-26-12-27-31/h1-10,12-13H,11H2,(H,28,29,32)
InChIKeyDYJIQVVKVVITLF-UHFFFAOYSA-N
MW452.40 g/mol
LogP4.53
Rot. Bonds5

About N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide

N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 43050535) has the molecular formula C22H15F3N6O2 and a molecular weight of 452.40 g/mol. Its IUPAC name is N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID43050535
Molecular FormulaC22H15F3N6O2
Molecular Weight452.40 g/mol
Exact Mass452.12
IUPAC NameN-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C22H15F3N6O2/c23-22(24,25)15-5-8-19-18(10-15)28-21(30(19)11-17-2-1-9-33-17)29-20(32)14-3-6-16(7-4-14)31-13-26-12-27-31/h1-10,12-13H,11H2,(H,28,29,32)
InChIKeyDYJIQVVKVVITLF-UHFFFAOYSA-N
XLogP4.53
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide (CID 43050535) is N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide is O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is DYJIQVVKVVITLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N6O2/c23-22(24,25)15-5-8-19-18(10-15)28-21(30(19)11-17-2-1-9-33-17)29-20(32)14-3-6-16(7-4-14)31-13-26-12-27-31/h1-10,12-13H,11H2,(H,28,29,32).
What are the key properties of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 452.40 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 43050535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).