N-[6-[[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-1H-benzimidazol-2-yl]acetamide

C22H16F4N6O3 — CID 10206527

IUPACN-[6-[[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-1H-benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)nc3)cc2[nH]1
InChIInChI=1S/C22H16F4N6O3/c1-11(33)28-20-29-16-6-3-13(9-18(16)30-20)35-14-4-7-19(27-10-14)32-21(34)31-17-8-12(22(24,25)26)2-5-15(17)23/h2-10H,1H3,(H2,27,31,32,34)(H2,28,29,30,33)
InChIKeyBDUFSIJFMWAXAX-UHFFFAOYSA-N
MW488.40 g/mol
LogP5.51
Rot. Bonds5

About N-[6-[[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-1H-benzimidazol-2-yl]acetamide

N-[6-[[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-1H-benzimidazol-2-yl]acetamide (PubChem CID 10206527) has the molecular formula C22H16F4N6O3 and a molecular weight of 488.40 g/mol. Its IUPAC name is N-[6-[[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-1H-benzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-1H-benzimidazol-2-yl]acetamide
PubChem CID10206527
Molecular FormulaC22H16F4N6O3
Molecular Weight488.40 g/mol
Exact Mass488.12
IUPAC NameN-[6-[[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-1H-benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)nc3)cc2[nH]1
InChIInChI=1S/C22H16F4N6O3/c1-11(33)28-20-29-16-6-3-13(9-18(16)30-20)35-14-4-7-19(27-10-14)32-21(34)31-17-8-12(22(24,25)26)2-5-15(17)23/h2-10H,1H3,(H2,27,31,32,34)(H2,28,29,30,33)
InChIKeyBDUFSIJFMWAXAX-UHFFFAOYSA-N
XLogP5.51
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.40
LogP ≤ 55.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-1H-benzimidazol-2-yl]acetamide?
The IUPAC name of N-[6-[[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-1H-benzimidazol-2-yl]acetamide (CID 10206527) is N-[6-[[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-1H-benzimidazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-1H-benzimidazol-2-yl]acetamide?
The canonical SMILES for N-[6-[[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-1H-benzimidazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)nc3)cc2[nH]1.
What is the InChIKey of N-[6-[[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-1H-benzimidazol-2-yl]acetamide?
The InChIKey is BDUFSIJFMWAXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N6O3/c1-11(33)28-20-29-16-6-3-13(9-18(16)30-20)35-14-4-7-19(27-10-14)32-21(34)31-17-8-12(22(24,25)26)2-5-15(17)23/h2-10H,1H3,(H2,27,31,32,34)(H2,28,29,30,33).
What are the key properties of N-[6-[[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-1H-benzimidazol-2-yl]acetamide?
N-[6-[[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-1H-benzimidazol-2-yl]acetamide has a molecular weight of 488.40 g/mol, XLogP of 5.51, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-1H-benzimidazol-2-yl]acetamide is sourced from PubChem (CID 10206527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).