thiophen-2-yl-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-3-yl]methanone

C16H8F3N3OS — CID 134941482

IUPACthiophen-2-yl-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-3-yl]methanone
SMILESO=C(c1cccs1)c1cn2c(nc1C(F)(F)F)nc1ccccc12
InChIInChI=1S/C16H8F3N3OS/c17-16(18,19)14-9(13(23)12-6-3-7-24-12)8-22-11-5-2-1-4-10(11)20-15(22)21-14/h1-8H
InChIKeyMXTMAGUKINIXAP-UHFFFAOYSA-N
MW347.32 g/mol
LogP4.19
Rot. Bonds2

About thiophen-2-yl-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-3-yl]methanone

thiophen-2-yl-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-3-yl]methanone (PubChem CID 134941482) has the molecular formula C16H8F3N3OS and a molecular weight of 347.32 g/mol. Its IUPAC name is thiophen-2-yl-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-3-yl]methanone.

Molecular Properties

Compound Namethiophen-2-yl-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-3-yl]methanone
PubChem CID134941482
Molecular FormulaC16H8F3N3OS
Molecular Weight347.32 g/mol
Exact Mass347.03
IUPAC Namethiophen-2-yl-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-3-yl]methanone
SMILESO=C(c1cccs1)c1cn2c(nc1C(F)(F)F)nc1ccccc12
InChIInChI=1S/C16H8F3N3OS/c17-16(18,19)14-9(13(23)12-6-3-7-24-12)8-22-11-5-2-1-4-10(11)20-15(22)21-14/h1-8H
InChIKeyMXTMAGUKINIXAP-UHFFFAOYSA-N
XLogP4.19
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-3-yl]methanone?
The IUPAC name of thiophen-2-yl-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-3-yl]methanone (CID 134941482) is thiophen-2-yl-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-3-yl]methanone.
What is the SMILES notation for thiophen-2-yl-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-3-yl]methanone?
The canonical SMILES for thiophen-2-yl-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-3-yl]methanone is O=C(c1cccs1)c1cn2c(nc1C(F)(F)F)nc1ccccc12.
What is the InChIKey of thiophen-2-yl-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-3-yl]methanone?
The InChIKey is MXTMAGUKINIXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F3N3OS/c17-16(18,19)14-9(13(23)12-6-3-7-24-12)8-22-11-5-2-1-4-10(11)20-15(22)21-14/h1-8H.
What are the key properties of thiophen-2-yl-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-3-yl]methanone?
thiophen-2-yl-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-3-yl]methanone has a molecular weight of 347.32 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-[2-(trifluoromethyl)pyrimido[1,2-a]benzimidazol-3-yl]methanone is sourced from PubChem (CID 134941482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).