N-methyl-5-[[7-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzimidazol-1-yl]methyl]-1,3-oxazol-2-amine

C20H15F3N6O — CID 58217329

IUPACN-methyl-5-[[7-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzimidazol-1-yl]methyl]-1,3-oxazol-2-amine
SMILESCNc1ncc(Cn2cnc3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c32)o1
InChIInChI=1S/C20H15F3N6O/c1-24-19-25-8-12(30-19)9-29-10-26-15-4-2-3-13(17(15)29)18-27-14-6-5-11(20(21,22)23)7-16(14)28-18/h2-8,10H,9H2,1H3,(H,24,25)(H,27,28)
InChIKeyLQSTYNOCDNZRTH-UHFFFAOYSA-N
MW412.38 g/mol
LogP4.68
Rot. Bonds4

About N-methyl-5-[[7-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzimidazol-1-yl]methyl]-1,3-oxazol-2-amine

N-methyl-5-[[7-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzimidazol-1-yl]methyl]-1,3-oxazol-2-amine (PubChem CID 58217329) has the molecular formula C20H15F3N6O and a molecular weight of 412.38 g/mol. Its IUPAC name is N-methyl-5-[[7-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzimidazol-1-yl]methyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[7-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzimidazol-1-yl]methyl]-1,3-oxazol-2-amine
PubChem CID58217329
Molecular FormulaC20H15F3N6O
Molecular Weight412.38 g/mol
Exact Mass412.13
IUPAC NameN-methyl-5-[[7-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzimidazol-1-yl]methyl]-1,3-oxazol-2-amine
SMILESCNc1ncc(Cn2cnc3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c32)o1
InChIInChI=1S/C20H15F3N6O/c1-24-19-25-8-12(30-19)9-29-10-26-15-4-2-3-13(17(15)29)18-27-14-6-5-11(20(21,22)23)7-16(14)28-18/h2-8,10H,9H2,1H3,(H,24,25)(H,27,28)
InChIKeyLQSTYNOCDNZRTH-UHFFFAOYSA-N
XLogP4.68
TPSA84.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[7-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzimidazol-1-yl]methyl]-1,3-oxazol-2-amine?
The IUPAC name of N-methyl-5-[[7-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzimidazol-1-yl]methyl]-1,3-oxazol-2-amine (CID 58217329) is N-methyl-5-[[7-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzimidazol-1-yl]methyl]-1,3-oxazol-2-amine.
What is the SMILES notation for N-methyl-5-[[7-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzimidazol-1-yl]methyl]-1,3-oxazol-2-amine?
The canonical SMILES for N-methyl-5-[[7-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzimidazol-1-yl]methyl]-1,3-oxazol-2-amine is CNc1ncc(Cn2cnc3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c32)o1.
What is the InChIKey of N-methyl-5-[[7-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzimidazol-1-yl]methyl]-1,3-oxazol-2-amine?
The InChIKey is LQSTYNOCDNZRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O/c1-24-19-25-8-12(30-19)9-29-10-26-15-4-2-3-13(17(15)29)18-27-14-6-5-11(20(21,22)23)7-16(14)28-18/h2-8,10H,9H2,1H3,(H,24,25)(H,27,28).
What are the key properties of N-methyl-5-[[7-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzimidazol-1-yl]methyl]-1,3-oxazol-2-amine?
N-methyl-5-[[7-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzimidazol-1-yl]methyl]-1,3-oxazol-2-amine has a molecular weight of 412.38 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[7-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzimidazol-1-yl]methyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 58217329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).