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

C18H17ClF3N5O — CID 11502467

IUPAC[5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol
SMILESOCc1cnc(N2CCN(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)c(Cl)c1
InChIInChI=1S/C18H17ClF3N5O/c19-13-7-11(10-28)9-23-16(13)26-3-5-27(6-4-26)17-24-14-2-1-12(18(20,21)22)8-15(14)25-17/h1-2,7-9,28H,3-6,10H2,(H,24,25)
InChIKeySOPLFOMSEVSBPO-UHFFFAOYSA-N
MW411.82 g/mol
LogP3.45
Rot. Bonds3

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

[5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol (PubChem CID 11502467) has the molecular formula C18H17ClF3N5O and a molecular weight of 411.82 g/mol. Its IUPAC name is [5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol
PubChem CID11502467
Molecular FormulaC18H17ClF3N5O
Molecular Weight411.82 g/mol
Exact Mass411.11
IUPAC Name[5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol
SMILESOCc1cnc(N2CCN(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)c(Cl)c1
InChIInChI=1S/C18H17ClF3N5O/c19-13-7-11(10-28)9-23-16(13)26-3-5-27(6-4-26)17-24-14-2-1-12(18(20,21)22)8-15(14)25-17/h1-2,7-9,28H,3-6,10H2,(H,24,25)
InChIKeySOPLFOMSEVSBPO-UHFFFAOYSA-N
XLogP3.45
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.82
LogP ≤ 53.45
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]-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol (CID 11502467) is [5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol is OCc1cnc(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]-3-pyridinyl]methanol?
The InChIKey is SOPLFOMSEVSBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N5O/c19-13-7-11(10-28)9-23-16(13)26-3-5-27(6-4-26)17-24-14-2-1-12(18(20,21)22)8-15(14)25-17/h1-2,7-9,28H,3-6,10H2,(H,24,25).
What are the key properties of [5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol?
[5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol has a molecular weight of 411.82 g/mol, XLogP of 3.45, 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]-3-pyridinyl]methanol is sourced from PubChem (CID 11502467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).