N-[(1-methylimidazol-2-yl)methyl]-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]benzamide

C24H18F3N5OS — CID 44523892

IUPACN-[(1-methylimidazol-2-yl)methyl]-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]benzamide
SMILESCn1ccnc1CNC(=O)c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1
InChIInChI=1S/C24H18F3N5OS/c1-32-11-10-28-21(32)13-29-23(33)15-4-2-14(3-5-15)19-8-9-20(34-19)22-30-17-7-6-16(24(25,26)27)12-18(17)31-22/h2-12H,13H2,1H3,(H,29,33)(H,30,31)
InChIKeyJZGNSZRCEXDQCG-UHFFFAOYSA-N
MW481.50 g/mol
LogP5.64
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]benzamide

N-[(1-methylimidazol-2-yl)methyl]-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]benzamide (PubChem CID 44523892) has the molecular formula C24H18F3N5OS and a molecular weight of 481.50 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]benzamide
PubChem CID44523892
Molecular FormulaC24H18F3N5OS
Molecular Weight481.50 g/mol
Exact Mass481.12
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]benzamide
SMILESCn1ccnc1CNC(=O)c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1
InChIInChI=1S/C24H18F3N5OS/c1-32-11-10-28-21(32)13-29-23(33)15-4-2-14(3-5-15)19-8-9-20(34-19)22-30-17-7-6-16(24(25,26)27)12-18(17)31-22/h2-12H,13H2,1H3,(H,29,33)(H,30,31)
InChIKeyJZGNSZRCEXDQCG-UHFFFAOYSA-N
XLogP5.64
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.50
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]benzamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]benzamide (CID 44523892) is N-[(1-methylimidazol-2-yl)methyl]-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]benzamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]benzamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]benzamide is Cn1ccnc1CNC(=O)c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]benzamide?
The InChIKey is JZGNSZRCEXDQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5OS/c1-32-11-10-28-21(32)13-29-23(33)15-4-2-14(3-5-15)19-8-9-20(34-19)22-30-17-7-6-16(24(25,26)27)12-18(17)31-22/h2-12H,13H2,1H3,(H,29,33)(H,30,31).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]benzamide?
N-[(1-methylimidazol-2-yl)methyl]-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]benzamide has a molecular weight of 481.50 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]benzamide is sourced from PubChem (CID 44523892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).