5-chloro-2-methoxy-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide

C21H15ClF3N5O2 — CID 70313017

IUPAC5-chloro-2-methoxy-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cnc(-n2c(C(F)(F)F)nc3cc(C)ccc32)cn1
InChIInChI=1S/C21H15ClF3N5O2/c1-11-3-5-15-14(7-11)28-20(21(23,24)25)30(15)18-10-26-17(9-27-18)29-19(31)13-8-12(22)4-6-16(13)32-2/h3-10H,1-2H3,(H,26,29,31)
InChIKeyQPBMQJQFEFNJOG-UHFFFAOYSA-N
MW461.83 g/mol
LogP5.06
Rot. Bonds4

About 5-chloro-2-methoxy-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide

5-chloro-2-methoxy-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide (PubChem CID 70313017) has the molecular formula C21H15ClF3N5O2 and a molecular weight of 461.83 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
PubChem CID70313017
Molecular FormulaC21H15ClF3N5O2
Molecular Weight461.83 g/mol
Exact Mass461.09
IUPAC Name5-chloro-2-methoxy-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cnc(-n2c(C(F)(F)F)nc3cc(C)ccc32)cn1
InChIInChI=1S/C21H15ClF3N5O2/c1-11-3-5-15-14(7-11)28-20(21(23,24)25)30(15)18-10-26-17(9-27-18)29-19(31)13-8-12(22)4-6-16(13)32-2/h3-10H,1-2H3,(H,26,29,31)
InChIKeyQPBMQJQFEFNJOG-UHFFFAOYSA-N
XLogP5.06
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.83
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide (CID 70313017) is 5-chloro-2-methoxy-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1cnc(-n2c(C(F)(F)F)nc3cc(C)ccc32)cn1.
What is the InChIKey of 5-chloro-2-methoxy-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
The InChIKey is QPBMQJQFEFNJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N5O2/c1-11-3-5-15-14(7-11)28-20(21(23,24)25)30(15)18-10-26-17(9-27-18)29-19(31)13-8-12(22)4-6-16(13)32-2/h3-10H,1-2H3,(H,26,29,31).
What are the key properties of 5-chloro-2-methoxy-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
5-chloro-2-methoxy-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide has a molecular weight of 461.83 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 70313017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).