5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide

C18H16ClF3N6O — CID 11661809

IUPAC5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(N2CCN(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)c(Cl)c1
InChIInChI=1S/C18H16ClF3N6O/c19-12-7-10(15(23)29)9-24-16(12)27-3-5-28(6-4-27)17-25-13-2-1-11(18(20,21)22)8-14(13)26-17/h1-2,7-9H,3-6H2,(H2,23,29)(H,25,26)
InChIKeyLLFJFMRGKQNBGZ-UHFFFAOYSA-N
MW424.81 g/mol
LogP3.06
Rot. Bonds3

About 5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide

5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 11661809) has the molecular formula C18H16ClF3N6O and a molecular weight of 424.81 g/mol. Its IUPAC name is 5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID11661809
Molecular FormulaC18H16ClF3N6O
Molecular Weight424.81 g/mol
Exact Mass424.10
IUPAC Name5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(N2CCN(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)c(Cl)c1
InChIInChI=1S/C18H16ClF3N6O/c19-12-7-10(15(23)29)9-24-16(12)27-3-5-28(6-4-27)17-25-13-2-1-11(18(20,21)22)8-14(13)26-17/h1-2,7-9H,3-6H2,(H2,23,29)(H,25,26)
InChIKeyLLFJFMRGKQNBGZ-UHFFFAOYSA-N
XLogP3.06
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.81
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide (CID 11661809) is 5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cnc(N2CCN(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is LLFJFMRGKQNBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N6O/c19-12-7-10(15(23)29)9-24-16(12)27-3-5-28(6-4-27)17-25-13-2-1-11(18(20,21)22)8-14(13)26-17/h1-2,7-9H,3-6H2,(H2,23,29)(H,25,26).
What are the key properties of 5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide?
5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 424.81 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 11661809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).