N-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide

C27H24F3N3O4 — CID 67203480

IUPACN-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCC1(C)OCC(COc2cccc(NC(=O)c3cccc4[nH]c(-c5ccccc5C(F)(F)F)nc34)c2)O1
InChIInChI=1S/C27H24F3N3O4/c1-26(2)36-15-18(37-26)14-35-17-8-5-7-16(13-17)31-25(34)20-10-6-12-22-23(20)33-24(32-22)19-9-3-4-11-21(19)27(28,29)30/h3-13,18H,14-15H2,1-2H3,(H,31,34)(H,32,33)
InChIKeyOORJPCJFGVSMMC-UHFFFAOYSA-N
MW511.50 g/mol
LogP6.03
Rot. Bonds6

About N-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide

N-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 67203480) has the molecular formula C27H24F3N3O4 and a molecular weight of 511.50 g/mol. Its IUPAC name is N-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID67203480
Molecular FormulaC27H24F3N3O4
Molecular Weight511.50 g/mol
Exact Mass511.17
IUPAC NameN-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCC1(C)OCC(COc2cccc(NC(=O)c3cccc4[nH]c(-c5ccccc5C(F)(F)F)nc34)c2)O1
InChIInChI=1S/C27H24F3N3O4/c1-26(2)36-15-18(37-26)14-35-17-8-5-7-16(13-17)31-25(34)20-10-6-12-22-23(20)33-24(32-22)19-9-3-4-11-21(19)27(28,29)30/h3-13,18H,14-15H2,1-2H3,(H,31,34)(H,32,33)
InChIKeyOORJPCJFGVSMMC-UHFFFAOYSA-N
XLogP6.03
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.50
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (CID 67203480) is N-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is CC1(C)OCC(COc2cccc(NC(=O)c3cccc4[nH]c(-c5ccccc5C(F)(F)F)nc34)c2)O1.
What is the InChIKey of N-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is OORJPCJFGVSMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N3O4/c1-26(2)36-15-18(37-26)14-35-17-8-5-7-16(13-17)31-25(34)20-10-6-12-22-23(20)33-24(32-22)19-9-3-4-11-21(19)27(28,29)30/h3-13,18H,14-15H2,1-2H3,(H,31,34)(H,32,33).
What are the key properties of N-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
N-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 511.50 g/mol, XLogP of 6.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 67203480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).