2-(benzimidazol-1-yl)-N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide

C41H32F3N9O2 — CID 69437364

IUPAC2-(benzimidazol-1-yl)-N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide
SMILESCc1ccnc(-c2cccc(NC(=O)Cn3cnc4ccccc43)c2)c1.O=C(Cn1cnc2ccccc21)Nc1cccc(-c2nccc(C(F)(F)F)n2)c1
InChIInChI=1S/C21H18N4O.C20H14F3N5O/c1-15-9-10-22-19(11-15)16-5-4-6-17(12-16)24-21(26)13-25-14-23-18-7-2-3-8-20(18)25;21-20(22,23)17-8-9-24-19(27-17)13-4-3-5-14(10-13)26-18(29)11-28-12-25-15-6-1-2-7-16(15)28/h2-12,14H,13H2,1H3,(H,24,26);1-10,12H,11H2,(H,26,29)
InChIKeyAVFOPFNTMIKXRS-UHFFFAOYSA-N
MW739.76 g/mol
LogP8.20
Rot. Bonds8

About 2-(benzimidazol-1-yl)-N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide

2-(benzimidazol-1-yl)-N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide (PubChem CID 69437364) has the molecular formula C41H32F3N9O2 and a molecular weight of 739.76 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide
PubChem CID69437364
Molecular FormulaC41H32F3N9O2
Molecular Weight739.76 g/mol
Exact Mass739.26
IUPAC Name2-(benzimidazol-1-yl)-N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide
SMILESCc1ccnc(-c2cccc(NC(=O)Cn3cnc4ccccc43)c2)c1.O=C(Cn1cnc2ccccc21)Nc1cccc(-c2nccc(C(F)(F)F)n2)c1
InChIInChI=1S/C21H18N4O.C20H14F3N5O/c1-15-9-10-22-19(11-15)16-5-4-6-17(12-16)24-21(26)13-25-14-23-18-7-2-3-8-20(18)25;21-20(22,23)17-8-9-24-19(27-17)13-4-3-5-14(10-13)26-18(29)11-28-12-25-15-6-1-2-7-16(15)28/h2-12,14H,13H2,1H3,(H,24,26);1-10,12H,11H2,(H,26,29)
InChIKeyAVFOPFNTMIKXRS-UHFFFAOYSA-N
XLogP8.20
TPSA132.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.76
LogP ≤ 58.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide (CID 69437364) is 2-(benzimidazol-1-yl)-N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide is Cc1ccnc(-c2cccc(NC(=O)Cn3cnc4ccccc43)c2)c1.O=C(Cn1cnc2ccccc21)Nc1cccc(-c2nccc(C(F)(F)F)n2)c1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide?
The InChIKey is AVFOPFNTMIKXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O.C20H14F3N5O/c1-15-9-10-22-19(11-15)16-5-4-6-17(12-16)24-21(26)13-25-14-23-18-7-2-3-8-20(18)25;21-20(22,23)17-8-9-24-19(27-17)13-4-3-5-14(10-13)26-18(29)11-28-12-25-15-6-1-2-7-16(15)28/h2-12,14H,13H2,1H3,(H,24,26);1-10,12H,11H2,(H,26,29).
What are the key properties of 2-(benzimidazol-1-yl)-N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide?
2-(benzimidazol-1-yl)-N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide has a molecular weight of 739.76 g/mol, XLogP of 8.20, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide is sourced from PubChem (CID 69437364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).