3,4-dimethoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide

C22H18F3N5O4 — CID 58993797

IUPAC3,4-dimethoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C22H18F3N5O4/c1-32-13-5-6-15-14(9-13)28-21(22(23,24)25)30(15)19-11-26-18(10-27-19)29-20(31)12-4-7-16(33-2)17(8-12)34-3/h4-11H,1-3H3,(H,26,29,31)
InChIKeyPIOSINTWMLVSQZ-UHFFFAOYSA-N
MW473.41 g/mol
LogP4.11
Rot. Bonds6

About 3,4-dimethoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide

3,4-dimethoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide (PubChem CID 58993797) has the molecular formula C22H18F3N5O4 and a molecular weight of 473.41 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
PubChem CID58993797
Molecular FormulaC22H18F3N5O4
Molecular Weight473.41 g/mol
Exact Mass473.13
IUPAC Name3,4-dimethoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C22H18F3N5O4/c1-32-13-5-6-15-14(9-13)28-21(22(23,24)25)30(15)19-11-26-18(10-27-19)29-20(31)12-4-7-16(33-2)17(8-12)34-3/h4-11H,1-3H3,(H,26,29,31)
InChIKeyPIOSINTWMLVSQZ-UHFFFAOYSA-N
XLogP4.11
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide (CID 58993797) is 3,4-dimethoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of 3,4-dimethoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
The InChIKey is PIOSINTWMLVSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O4/c1-32-13-5-6-15-14(9-13)28-21(22(23,24)25)30(15)19-11-26-18(10-27-19)29-20(31)12-4-7-16(33-2)17(8-12)34-3/h4-11H,1-3H3,(H,26,29,31).
What are the key properties of 3,4-dimethoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
3,4-dimethoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide has a molecular weight of 473.41 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 58993797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).