4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide

C20H13ClF3N5O2 — CID 143028856

IUPAC4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(Oc2ccc3nc(Nc4cc(C(F)(F)F)ccc4Cl)[nH]c3c2)ccn1
InChIInChI=1S/C20H13ClF3N5O2/c21-13-3-1-10(20(22,23)24)7-15(13)28-19-27-14-4-2-11(8-16(14)29-19)31-12-5-6-26-17(9-12)18(25)30/h1-9H,(H2,25,30)(H2,27,28,29)
InChIKeyKPKWOPWYCIOMED-UHFFFAOYSA-N
MW447.80 g/mol
LogP5.26
Rot. Bonds5

About 4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide

4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide (PubChem CID 143028856) has the molecular formula C20H13ClF3N5O2 and a molecular weight of 447.80 g/mol. Its IUPAC name is 4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
PubChem CID143028856
Molecular FormulaC20H13ClF3N5O2
Molecular Weight447.80 g/mol
Exact Mass447.07
IUPAC Name4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(Oc2ccc3nc(Nc4cc(C(F)(F)F)ccc4Cl)[nH]c3c2)ccn1
InChIInChI=1S/C20H13ClF3N5O2/c21-13-3-1-10(20(22,23)24)7-15(13)28-19-27-14-4-2-11(8-16(14)29-19)31-12-5-6-26-17(9-12)18(25)30/h1-9H,(H2,25,30)(H2,27,28,29)
InChIKeyKPKWOPWYCIOMED-UHFFFAOYSA-N
XLogP5.26
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.80
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide (CID 143028856) is 4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide is NC(=O)c1cc(Oc2ccc3nc(Nc4cc(C(F)(F)F)ccc4Cl)[nH]c3c2)ccn1.
What is the InChIKey of 4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?
The InChIKey is KPKWOPWYCIOMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N5O2/c21-13-3-1-10(20(22,23)24)7-15(13)28-19-27-14-4-2-11(8-16(14)29-19)31-12-5-6-26-17(9-12)18(25)30/h1-9H,(H2,25,30)(H2,27,28,29).
What are the key properties of 4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?
4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide has a molecular weight of 447.80 g/mol, XLogP of 5.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 143028856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).