6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide

C20H20F3N5O3 — CID 11407902

IUPAC6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide
SMILESCNC(=O)c1nc2ccc(CCNC(=O)Nc3cc(C(F)(F)F)ccc3OC)cc2[nH]1
InChIInChI=1S/C20H20F3N5O3/c1-24-18(29)17-26-13-5-3-11(9-14(13)27-17)7-8-25-19(30)28-15-10-12(20(21,22)23)4-6-16(15)31-2/h3-6,9-10H,7-8H2,1-2H3,(H,24,29)(H,26,27)(H2,25,28,30)
InChIKeyBFCLSCZXIZAQPT-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.31
Rot. Bonds6

About 6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide

6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide (PubChem CID 11407902) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is 6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide
PubChem CID11407902
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC Name6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide
SMILESCNC(=O)c1nc2ccc(CCNC(=O)Nc3cc(C(F)(F)F)ccc3OC)cc2[nH]1
InChIInChI=1S/C20H20F3N5O3/c1-24-18(29)17-26-13-5-3-11(9-14(13)27-17)7-8-25-19(30)28-15-10-12(20(21,22)23)4-6-16(15)31-2/h3-6,9-10H,7-8H2,1-2H3,(H,24,29)(H,26,27)(H2,25,28,30)
InChIKeyBFCLSCZXIZAQPT-UHFFFAOYSA-N
XLogP3.31
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide?
The IUPAC name of 6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide (CID 11407902) is 6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide is CNC(=O)c1nc2ccc(CCNC(=O)Nc3cc(C(F)(F)F)ccc3OC)cc2[nH]1.
What is the InChIKey of 6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide?
The InChIKey is BFCLSCZXIZAQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c1-24-18(29)17-26-13-5-3-11(9-14(13)27-17)7-8-25-19(30)28-15-10-12(20(21,22)23)4-6-16(15)31-2/h3-6,9-10H,7-8H2,1-2H3,(H,24,29)(H,26,27)(H2,25,28,30).
What are the key properties of 6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide?
6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide has a molecular weight of 435.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 11407902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).