5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide

C32H26F6N10O4 — CID 87785180

IUPAC5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)C(C)CCNC(=O)c2cnc(-n3c(C(F)(F)F)nc4cc(OC)ccc43)cn2)cn1
InChIInChI=1S/C32H26F6N10O4/c1-16(27(49)46-24-13-43-26(15-41-24)48-23-7-5-18(52-3)11-20(23)45-30(48)32(36,37)38)8-9-39-28(50)21-12-42-25(14-40-21)47-22-6-4-17(51-2)10-19(22)44-29(47)31(33,34)35/h4-7,10-16H,8-9H2,1-3H3,(H,39,50)(H,41,46,49)
InChIKeySFMCKFDEQDZJNK-UHFFFAOYSA-N
MW728.61 g/mol
LogP5.39
Rot. Bonds10

About 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide

5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide (PubChem CID 87785180) has the molecular formula C32H26F6N10O4 and a molecular weight of 728.61 g/mol. Its IUPAC name is 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide
PubChem CID87785180
Molecular FormulaC32H26F6N10O4
Molecular Weight728.61 g/mol
Exact Mass728.20
IUPAC Name5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)C(C)CCNC(=O)c2cnc(-n3c(C(F)(F)F)nc4cc(OC)ccc43)cn2)cn1
InChIInChI=1S/C32H26F6N10O4/c1-16(27(49)46-24-13-43-26(15-41-24)48-23-7-5-18(52-3)11-20(23)45-30(48)32(36,37)38)8-9-39-28(50)21-12-42-25(14-40-21)47-22-6-4-17(51-2)10-19(22)44-29(47)31(33,34)35/h4-7,10-16H,8-9H2,1-3H3,(H,39,50)(H,41,46,49)
InChIKeySFMCKFDEQDZJNK-UHFFFAOYSA-N
XLogP5.39
TPSA163.86 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500728.61
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide?
The IUPAC name of 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide (CID 87785180) is 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)C(C)CCNC(=O)c2cnc(-n3c(C(F)(F)F)nc4cc(OC)ccc43)cn2)cn1.
What is the InChIKey of 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide?
The InChIKey is SFMCKFDEQDZJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F6N10O4/c1-16(27(49)46-24-13-43-26(15-41-24)48-23-7-5-18(52-3)11-20(23)45-30(48)32(36,37)38)8-9-39-28(50)21-12-42-25(14-40-21)47-22-6-4-17(51-2)10-19(22)44-29(47)31(33,34)35/h4-7,10-16H,8-9H2,1-3H3,(H,39,50)(H,41,46,49).
What are the key properties of 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide?
5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide has a molecular weight of 728.61 g/mol, XLogP of 5.39, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide is sourced from PubChem (CID 87785180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).