N-[(1-methylimidazol-2-yl)methyl]-4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide

C26H20F3N5O — CID 44523896

IUPACN-[(1-methylimidazol-2-yl)methyl]-4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCn1ccnc1CNC(=O)c1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1
InChIInChI=1S/C26H20F3N5O/c1-34-12-11-30-23(34)15-31-25(35)17-7-5-16(6-8-17)18-3-2-4-19(13-18)24-32-21-10-9-20(26(27,28)29)14-22(21)33-24/h2-14H,15H2,1H3,(H,31,35)(H,32,33)
InChIKeyFSUAJBCWCHHNHP-UHFFFAOYSA-N
MW475.47 g/mol
LogP5.58
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide

N-[(1-methylimidazol-2-yl)methyl]-4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 44523896) has the molecular formula C26H20F3N5O and a molecular weight of 475.47 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
PubChem CID44523896
Molecular FormulaC26H20F3N5O
Molecular Weight475.47 g/mol
Exact Mass475.16
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCn1ccnc1CNC(=O)c1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1
InChIInChI=1S/C26H20F3N5O/c1-34-12-11-30-23(34)15-31-25(35)17-7-5-16(6-8-17)18-3-2-4-19(13-18)24-32-21-10-9-20(26(27,28)29)14-22(21)33-24/h2-14H,15H2,1H3,(H,31,35)(H,32,33)
InChIKeyFSUAJBCWCHHNHP-UHFFFAOYSA-N
XLogP5.58
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.47
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide (CID 44523896) is N-[(1-methylimidazol-2-yl)methyl]-4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide is Cn1ccnc1CNC(=O)c1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide?
The InChIKey is FSUAJBCWCHHNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5O/c1-34-12-11-30-23(34)15-31-25(35)17-7-5-16(6-8-17)18-3-2-4-19(13-18)24-32-21-10-9-20(26(27,28)29)14-22(21)33-24/h2-14H,15H2,1H3,(H,31,35)(H,32,33).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide?
N-[(1-methylimidazol-2-yl)methyl]-4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 475.47 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 44523896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).