(5-methylthiophen-2-yl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone

C19H18F3N3OS — CID 46081161

IUPAC(5-methylthiophen-2-yl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(n3cnc4cc(C(F)(F)F)ccc43)CC2)s1
InChIInChI=1S/C19H18F3N3OS/c1-12-2-5-17(27-12)18(26)24-8-6-14(7-9-24)25-11-23-15-10-13(19(20,21)22)3-4-16(15)25/h2-5,10-11,14H,6-9H2,1H3
InChIKeyAERGKHWALOORTA-UHFFFAOYSA-N
MW393.43 g/mol
LogP4.90
Rot. Bonds2

About (5-methylthiophen-2-yl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone

(5-methylthiophen-2-yl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone (PubChem CID 46081161) has the molecular formula C19H18F3N3OS and a molecular weight of 393.43 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
PubChem CID46081161
Molecular FormulaC19H18F3N3OS
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC Name(5-methylthiophen-2-yl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(n3cnc4cc(C(F)(F)F)ccc43)CC2)s1
InChIInChI=1S/C19H18F3N3OS/c1-12-2-5-17(27-12)18(26)24-8-6-14(7-9-24)25-11-23-15-10-13(19(20,21)22)3-4-16(15)25/h2-5,10-11,14H,6-9H2,1H3
InChIKeyAERGKHWALOORTA-UHFFFAOYSA-N
XLogP4.90
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-methylthiophen-2-yl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone (CID 46081161) is (5-methylthiophen-2-yl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methylthiophen-2-yl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methylthiophen-2-yl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(n3cnc4cc(C(F)(F)F)ccc43)CC2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is AERGKHWALOORTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3OS/c1-12-2-5-17(27-12)18(26)24-8-6-14(7-9-24)25-11-23-15-10-13(19(20,21)22)3-4-16(15)25/h2-5,10-11,14H,6-9H2,1H3.
What are the key properties of (5-methylthiophen-2-yl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
(5-methylthiophen-2-yl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 393.43 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46081161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).