N-methyl-2-[4-[7-methyl-2-[2-(trifluoromethoxy)phenyl]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanamine

C23H27F3N4O — CID 58730838

IUPACN-methyl-2-[4-[7-methyl-2-[2-(trifluoromethoxy)phenyl]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(c2cc(C)c3nc(-c4ccccc4OC(F)(F)F)[nH]c3c2)CC1
InChIInChI=1S/C23H27F3N4O/c1-15-13-17(16-7-10-30(11-8-16)12-9-27-2)14-19-21(15)29-22(28-19)18-5-3-4-6-20(18)31-23(24,25)26/h3-6,13-14,16,27H,7-12H2,1-2H3,(H,28,29)
InChIKeySZMGBNWJEJZWLH-UHFFFAOYSA-N
MW432.49 g/mol
LogP4.84
Rot. Bonds6

About N-methyl-2-[4-[7-methyl-2-[2-(trifluoromethoxy)phenyl]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanamine

N-methyl-2-[4-[7-methyl-2-[2-(trifluoromethoxy)phenyl]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanamine (PubChem CID 58730838) has the molecular formula C23H27F3N4O and a molecular weight of 432.49 g/mol. Its IUPAC name is N-methyl-2-[4-[7-methyl-2-[2-(trifluoromethoxy)phenyl]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-[7-methyl-2-[2-(trifluoromethoxy)phenyl]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanamine
PubChem CID58730838
Molecular FormulaC23H27F3N4O
Molecular Weight432.49 g/mol
Exact Mass432.21
IUPAC NameN-methyl-2-[4-[7-methyl-2-[2-(trifluoromethoxy)phenyl]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(c2cc(C)c3nc(-c4ccccc4OC(F)(F)F)[nH]c3c2)CC1
InChIInChI=1S/C23H27F3N4O/c1-15-13-17(16-7-10-30(11-8-16)12-9-27-2)14-19-21(15)29-22(28-19)18-5-3-4-6-20(18)31-23(24,25)26/h3-6,13-14,16,27H,7-12H2,1-2H3,(H,28,29)
InChIKeySZMGBNWJEJZWLH-UHFFFAOYSA-N
XLogP4.84
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[7-methyl-2-[2-(trifluoromethoxy)phenyl]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-[7-methyl-2-[2-(trifluoromethoxy)phenyl]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanamine (CID 58730838) is N-methyl-2-[4-[7-methyl-2-[2-(trifluoromethoxy)phenyl]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-[7-methyl-2-[2-(trifluoromethoxy)phenyl]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-[7-methyl-2-[2-(trifluoromethoxy)phenyl]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanamine is CNCCN1CCC(c2cc(C)c3nc(-c4ccccc4OC(F)(F)F)[nH]c3c2)CC1.
What is the InChIKey of N-methyl-2-[4-[7-methyl-2-[2-(trifluoromethoxy)phenyl]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanamine?
The InChIKey is SZMGBNWJEJZWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O/c1-15-13-17(16-7-10-30(11-8-16)12-9-27-2)14-19-21(15)29-22(28-19)18-5-3-4-6-20(18)31-23(24,25)26/h3-6,13-14,16,27H,7-12H2,1-2H3,(H,28,29).
What are the key properties of N-methyl-2-[4-[7-methyl-2-[2-(trifluoromethoxy)phenyl]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanamine?
N-methyl-2-[4-[7-methyl-2-[2-(trifluoromethoxy)phenyl]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanamine has a molecular weight of 432.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[7-methyl-2-[2-(trifluoromethoxy)phenyl]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 58730838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).