4-[2-(2-chloro-5-fluoroanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

C21H17ClFN5O2 — CID 22040872

IUPAC4-[2-(2-chloro-5-fluoroanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cc(F)ccc2Cl)n3C)ccn1
InChIInChI=1S/C21H17ClFN5O2/c1-24-20(29)18-11-14(7-8-25-18)30-13-4-6-19-17(10-13)27-21(28(19)2)26-16-9-12(23)3-5-15(16)22/h3-11H,1-2H3,(H,24,29)(H,26,27)
InChIKeyYVDYLMICCTULJG-UHFFFAOYSA-N
MW425.85 g/mol
LogP4.66
Rot. Bonds5

About 4-[2-(2-chloro-5-fluoroanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-(2-chloro-5-fluoroanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 22040872) has the molecular formula C21H17ClFN5O2 and a molecular weight of 425.85 g/mol. Its IUPAC name is 4-[2-(2-chloro-5-fluoroanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2-chloro-5-fluoroanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID22040872
Molecular FormulaC21H17ClFN5O2
Molecular Weight425.85 g/mol
Exact Mass425.11
IUPAC Name4-[2-(2-chloro-5-fluoroanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cc(F)ccc2Cl)n3C)ccn1
InChIInChI=1S/C21H17ClFN5O2/c1-24-20(29)18-11-14(7-8-25-18)30-13-4-6-19-17(10-13)27-21(28(19)2)26-16-9-12(23)3-5-15(16)22/h3-11H,1-2H3,(H,24,29)(H,26,27)
InChIKeyYVDYLMICCTULJG-UHFFFAOYSA-N
XLogP4.66
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.85
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-5-fluoroanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(2-chloro-5-fluoroanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (CID 22040872) is 4-[2-(2-chloro-5-fluoroanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(2-chloro-5-fluoroanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(2-chloro-5-fluoroanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cc(F)ccc2Cl)n3C)ccn1.
What is the InChIKey of 4-[2-(2-chloro-5-fluoroanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is YVDYLMICCTULJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5O2/c1-24-20(29)18-11-14(7-8-25-18)30-13-4-6-19-17(10-13)27-21(28(19)2)26-16-9-12(23)3-5-15(16)22/h3-11H,1-2H3,(H,24,29)(H,26,27).
What are the key properties of 4-[2-(2-chloro-5-fluoroanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-(2-chloro-5-fluoroanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 425.85 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-5-fluoroanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 22040872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).