N-(6-piperidin-4-yl-1H-benzimidazol-2-yl)-6-(trifluoromethyl)quinolin-2-amine

C22H20F3N5 — CID 172554010

IUPACN-(6-piperidin-4-yl-1H-benzimidazol-2-yl)-6-(trifluoromethyl)quinolin-2-amine
SMILESFC(F)(F)c1ccc2nc(Nc3nc4ccc(C5CCNCC5)cc4[nH]3)ccc2c1
InChIInChI=1S/C22H20F3N5/c23-22(24,25)16-3-5-17-15(11-16)2-6-20(27-17)30-21-28-18-4-1-14(12-19(18)29-21)13-7-9-26-10-8-13/h1-6,11-13,26H,7-10H2,(H2,27,28,29,30)
InChIKeyQEKLEFCLEHLVNB-UHFFFAOYSA-N
MW411.43 g/mol
LogP5.34
Rot. Bonds3

About N-(6-piperidin-4-yl-1H-benzimidazol-2-yl)-6-(trifluoromethyl)quinolin-2-amine

N-(6-piperidin-4-yl-1H-benzimidazol-2-yl)-6-(trifluoromethyl)quinolin-2-amine (PubChem CID 172554010) has the molecular formula C22H20F3N5 and a molecular weight of 411.43 g/mol. Its IUPAC name is N-(6-piperidin-4-yl-1H-benzimidazol-2-yl)-6-(trifluoromethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-(6-piperidin-4-yl-1H-benzimidazol-2-yl)-6-(trifluoromethyl)quinolin-2-amine
PubChem CID172554010
Molecular FormulaC22H20F3N5
Molecular Weight411.43 g/mol
Exact Mass411.17
IUPAC NameN-(6-piperidin-4-yl-1H-benzimidazol-2-yl)-6-(trifluoromethyl)quinolin-2-amine
SMILESFC(F)(F)c1ccc2nc(Nc3nc4ccc(C5CCNCC5)cc4[nH]3)ccc2c1
InChIInChI=1S/C22H20F3N5/c23-22(24,25)16-3-5-17-15(11-16)2-6-20(27-17)30-21-28-18-4-1-14(12-19(18)29-21)13-7-9-26-10-8-13/h1-6,11-13,26H,7-10H2,(H2,27,28,29,30)
InChIKeyQEKLEFCLEHLVNB-UHFFFAOYSA-N
XLogP5.34
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.43
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-piperidin-4-yl-1H-benzimidazol-2-yl)-6-(trifluoromethyl)quinolin-2-amine?
The IUPAC name of N-(6-piperidin-4-yl-1H-benzimidazol-2-yl)-6-(trifluoromethyl)quinolin-2-amine (CID 172554010) is N-(6-piperidin-4-yl-1H-benzimidazol-2-yl)-6-(trifluoromethyl)quinolin-2-amine.
What is the SMILES notation for N-(6-piperidin-4-yl-1H-benzimidazol-2-yl)-6-(trifluoromethyl)quinolin-2-amine?
The canonical SMILES for N-(6-piperidin-4-yl-1H-benzimidazol-2-yl)-6-(trifluoromethyl)quinolin-2-amine is FC(F)(F)c1ccc2nc(Nc3nc4ccc(C5CCNCC5)cc4[nH]3)ccc2c1.
What is the InChIKey of N-(6-piperidin-4-yl-1H-benzimidazol-2-yl)-6-(trifluoromethyl)quinolin-2-amine?
The InChIKey is QEKLEFCLEHLVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5/c23-22(24,25)16-3-5-17-15(11-16)2-6-20(27-17)30-21-28-18-4-1-14(12-19(18)29-21)13-7-9-26-10-8-13/h1-6,11-13,26H,7-10H2,(H2,27,28,29,30).
What are the key properties of N-(6-piperidin-4-yl-1H-benzimidazol-2-yl)-6-(trifluoromethyl)quinolin-2-amine?
N-(6-piperidin-4-yl-1H-benzimidazol-2-yl)-6-(trifluoromethyl)quinolin-2-amine has a molecular weight of 411.43 g/mol, XLogP of 5.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperidin-4-yl-1H-benzimidazol-2-yl)-6-(trifluoromethyl)quinolin-2-amine is sourced from PubChem (CID 172554010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).