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

C20H13BrF3N5O2 — CID 58993862

IUPAC3-bromo-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cccc(Br)c2)cn1
InChIInChI=1S/C20H13BrF3N5O2/c1-31-13-5-6-15-14(8-13)27-19(20(22,23)24)29(15)17-10-25-16(9-26-17)28-18(30)11-3-2-4-12(21)7-11/h2-10H,1H3,(H,25,28,30)
InChIKeyNHRWZWBIXATBFV-UHFFFAOYSA-N
MW492.26 g/mol
LogP4.86
Rot. Bonds4

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

3-bromo-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide (PubChem CID 58993862) has the molecular formula C20H13BrF3N5O2 and a molecular weight of 492.26 g/mol. Its IUPAC name is 3-bromo-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
PubChem CID58993862
Molecular FormulaC20H13BrF3N5O2
Molecular Weight492.26 g/mol
Exact Mass491.02
IUPAC Name3-bromo-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cccc(Br)c2)cn1
InChIInChI=1S/C20H13BrF3N5O2/c1-31-13-5-6-15-14(8-13)27-19(20(22,23)24)29(15)17-10-25-16(9-26-17)28-18(30)11-3-2-4-12(21)7-11/h2-10H,1H3,(H,25,28,30)
InChIKeyNHRWZWBIXATBFV-UHFFFAOYSA-N
XLogP4.86
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.26
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide
CID 58993841
3-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-4-nitrosobenzamide
CID 88571608
2,4,5-trifluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
CID 58993848
N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-dimethylbenzamide
CID 58993859
5-chloro-2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
CID 58993860
3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
CID 24850023
3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 11619091
1-[5-[(2,6-difluorobenzoyl)amino]pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 66756590
N-[5-[5-(dimethylamino)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 25231409
2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide
CID 143545663
2,5-difluoro-N-[5-[5-(1-methoxyethenyl)-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
CID 70313887
N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide
CID 173170209

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 3-bromo-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide (CID 58993862) is 3-bromo-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 3-bromo-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)c2cccc(Br)c2)cn1.
What is the InChIKey of 3-bromo-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
The InChIKey is NHRWZWBIXATBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrF3N5O2/c1-31-13-5-6-15-14(8-13)27-19(20(22,23)24)29(15)17-10-25-16(9-26-17)28-18(30)11-3-2-4-12(21)7-11/h2-10H,1H3,(H,25,28,30).
What are the key properties of 3-bromo-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
3-bromo-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide has a molecular weight of 492.26 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 58993862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).