5-chloro-N-ethyl-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide

C21H15ClF3N5O — CID 25061199

IUPAC5-chloro-N-ethyl-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)nc2)c(Cl)c1
InChIInChI=1S/C21H15ClF3N5O/c1-2-26-20(31)12-7-14(22)18(28-10-12)11-3-5-16(27-9-11)19-29-15-6-4-13(21(23,24)25)8-17(15)30-19/h3-10H,2H2,1H3,(H,26,31)(H,29,30)
InChIKeyGKBIPECOWTVBEI-UHFFFAOYSA-N
MW445.83 g/mol
LogP5.11
Rot. Bonds4

About 5-chloro-N-ethyl-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide

5-chloro-N-ethyl-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 25061199) has the molecular formula C21H15ClF3N5O and a molecular weight of 445.83 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide
PubChem CID25061199
Molecular FormulaC21H15ClF3N5O
Molecular Weight445.83 g/mol
Exact Mass445.09
IUPAC Name5-chloro-N-ethyl-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)nc2)c(Cl)c1
InChIInChI=1S/C21H15ClF3N5O/c1-2-26-20(31)12-7-14(22)18(28-10-12)11-3-5-16(27-9-11)19-29-15-6-4-13(21(23,24)25)8-17(15)30-19/h3-10H,2H2,1H3,(H,26,31)(H,29,30)
InChIKeyGKBIPECOWTVBEI-UHFFFAOYSA-N
XLogP5.11
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.83
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide (CID 25061199) is 5-chloro-N-ethyl-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide is CCNC(=O)c1cnc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)nc2)c(Cl)c1.
What is the InChIKey of 5-chloro-N-ethyl-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is GKBIPECOWTVBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N5O/c1-2-26-20(31)12-7-14(22)18(28-10-12)11-3-5-16(27-9-11)19-29-15-6-4-13(21(23,24)25)8-17(15)30-19/h3-10H,2H2,1H3,(H,26,31)(H,29,30).
What are the key properties of 5-chloro-N-ethyl-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide?
5-chloro-N-ethyl-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 445.83 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 25061199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).