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

C18H17ClF3N5O — CID 10409388

IUPAC[2-[4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol
SMILESOCc1cccnc1N1CCN(c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)CC1
InChIInChI=1S/C18H17ClF3N5O/c19-13-8-12(18(20,21)22)9-14-15(13)25-17(24-14)27-6-4-26(5-7-27)16-11(10-28)2-1-3-23-16/h1-3,8-9,28H,4-7,10H2,(H,24,25)
InChIKeyYJZKBRBERAOXGT-UHFFFAOYSA-N
MW411.82 g/mol
LogP3.45
Rot. Bonds3

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

[2-[4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol (PubChem CID 10409388) has the molecular formula C18H17ClF3N5O and a molecular weight of 411.82 g/mol. Its IUPAC name is [2-[4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol
PubChem CID10409388
Molecular FormulaC18H17ClF3N5O
Molecular Weight411.82 g/mol
Exact Mass411.11
IUPAC Name[2-[4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol
SMILESOCc1cccnc1N1CCN(c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)CC1
InChIInChI=1S/C18H17ClF3N5O/c19-13-8-12(18(20,21)22)9-14-15(13)25-17(24-14)27-6-4-26(5-7-27)16-11(10-28)2-1-3-23-16/h1-3,8-9,28H,4-7,10H2,(H,24,25)
InChIKeyYJZKBRBERAOXGT-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 [2-[4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol?
The IUPAC name of [2-[4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol (CID 10409388) is [2-[4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [2-[4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol?
The canonical SMILES for [2-[4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol is OCc1cccnc1N1CCN(c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)CC1.
What is the InChIKey of [2-[4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol?
The InChIKey is YJZKBRBERAOXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N5O/c19-13-8-12(18(20,21)22)9-14-15(13)25-17(24-14)27-6-4-26(5-7-27)16-11(10-28)2-1-3-23-16/h1-3,8-9,28H,4-7,10H2,(H,24,25).
What are the key properties of [2-[4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol?
[2-[4-[4-chloro-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 [2-[4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 10409388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).