1-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide;3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide

C50H48F6N10O6S2 — CID 44528399

IUPAC1-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide;3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2c(c1)ncn2-c1cc(OCc2ccccc2C(F)(F)F)c(C(N)=O)s1.CN(C)CCNC(=O)c1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2c1
InChIInChI=1S/2C25H24F3N5O3S/c1-32(2)10-9-30-24(35)15-7-8-19-18(11-15)31-14-33(19)21-12-20(22(37-21)23(29)34)36-13-16-5-3-4-6-17(16)25(26,27)28;1-32(2)10-9-30-24(35)15-7-8-18-19(11-15)33(14-31-18)21-12-20(22(37-21)23(29)34)36-13-16-5-3-4-6-17(16)25(26,27)28/h2*3-8,11-12,14H,9-10,13H2,1-2H3,(H2,29,34)(H,30,35)
InChIKeyJLUYSIREDPOPST-UHFFFAOYSA-N
MW1063.12 g/mol
LogP8.15
Rot. Bonds18

About 1-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide;3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide

1-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide;3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide (PubChem CID 44528399) has the molecular formula C50H48F6N10O6S2 and a molecular weight of 1063.12 g/mol. Its IUPAC name is 1-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide;3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide;3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide
PubChem CID44528399
Molecular FormulaC50H48F6N10O6S2
Molecular Weight1063.12 g/mol
Exact Mass1062.31
IUPAC Name1-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide;3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2c(c1)ncn2-c1cc(OCc2ccccc2C(F)(F)F)c(C(N)=O)s1.CN(C)CCNC(=O)c1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2c1
InChIInChI=1S/2C25H24F3N5O3S/c1-32(2)10-9-30-24(35)15-7-8-19-18(11-15)31-14-33(19)21-12-20(22(37-21)23(29)34)36-13-16-5-3-4-6-17(16)25(26,27)28;1-32(2)10-9-30-24(35)15-7-8-18-19(11-15)33(14-31-18)21-12-20(22(37-21)23(29)34)36-13-16-5-3-4-6-17(16)25(26,27)28/h2*3-8,11-12,14H,9-10,13H2,1-2H3,(H2,29,34)(H,30,35)
InChIKeyJLUYSIREDPOPST-UHFFFAOYSA-N
XLogP8.15
TPSA204.96 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001063.12
LogP ≤ 58.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 1-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide;3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide;3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide;3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide (CID 44528399) is 1-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide;3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide;3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide;3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide is CN(C)CCNC(=O)c1ccc2c(c1)ncn2-c1cc(OCc2ccccc2C(F)(F)F)c(C(N)=O)s1.CN(C)CCNC(=O)c1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2c1.
What is the InChIKey of 1-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide;3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide?
The InChIKey is JLUYSIREDPOPST-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H24F3N5O3S/c1-32(2)10-9-30-24(35)15-7-8-19-18(11-15)31-14-33(19)21-12-20(22(37-21)23(29)34)36-13-16-5-3-4-6-17(16)25(26,27)28;1-32(2)10-9-30-24(35)15-7-8-18-19(11-15)33(14-31-18)21-12-20(22(37-21)23(29)34)36-13-16-5-3-4-6-17(16)25(26,27)28/h2*3-8,11-12,14H,9-10,13H2,1-2H3,(H2,29,34)(H,30,35).
What are the key properties of 1-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide;3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide?
1-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide;3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide has a molecular weight of 1063.12 g/mol, XLogP of 8.15, 18 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide;3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 44528399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).