[4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone

C32H34F4N6O2 — CID 118378655

IUPAC[4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone
SMILESCOc1ccc(CN2CCC(c3ccc4nc(C(=O)N5CCN(Cc6ccc(C(F)(F)F)cc6F)CC5)[nH]c4c3)CC2)cn1
InChIInChI=1S/C32H34F4N6O2/c1-44-29-7-2-21(18-37-29)19-40-10-8-22(9-11-40)23-4-6-27-28(16-23)39-30(38-27)31(43)42-14-12-41(13-15-42)20-24-3-5-25(17-26(24)33)32(34,35)36/h2-7,16-18,22H,8-15,19-20H2,1H3,(H,38,39)
InChIKeyYSDOFGBITHORQK-UHFFFAOYSA-N
MW610.66 g/mol
LogP5.46
Rot. Bonds7

About [4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone

[4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone (PubChem CID 118378655) has the molecular formula C32H34F4N6O2 and a molecular weight of 610.66 g/mol. Its IUPAC name is [4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone.

Molecular Properties

Compound Name[4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone
PubChem CID118378655
Molecular FormulaC32H34F4N6O2
Molecular Weight610.66 g/mol
Exact Mass610.27
IUPAC Name[4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone
SMILESCOc1ccc(CN2CCC(c3ccc4nc(C(=O)N5CCN(Cc6ccc(C(F)(F)F)cc6F)CC5)[nH]c4c3)CC2)cn1
InChIInChI=1S/C32H34F4N6O2/c1-44-29-7-2-21(18-37-29)19-40-10-8-22(9-11-40)23-4-6-27-28(16-23)39-30(38-27)31(43)42-14-12-41(13-15-42)20-24-3-5-25(17-26(24)33)32(34,35)36/h2-7,16-18,22H,8-15,19-20H2,1H3,(H,38,39)
InChIKeyYSDOFGBITHORQK-UHFFFAOYSA-N
XLogP5.46
TPSA77.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.66
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone with MolForge

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Related Compounds

(6-(1-((6-methoxypyridin-3-yl)methyl)piperidin-4-yl)-1H-benzo(d)imidazol-2-yl)(4-(4-(trifluoromethyl)benzyl)piperazin-1-yl)methanone bis(4-methylbenzenesulfonate)
CID 146673134
2-(4-(2-(2-methoxypyridin-3-yl)-4-methyl-1H-benzo[d]imidazol-6-yl)piperidin-1-yl)-N-methylethanamine
CID 45487360
1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 118057812
4-(6-methoxypyridin-3-yl)-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11534687
2-(4-(2-(2-methoxypyridin-3-yl)-1H-benzo[d]imidazol-5-yl)piperidin-1-yl)-N-methylethanamine
CID 11848210
2-(4-(2-(2-methoxypyridin-3-yl)-1-methyl-1H-benzo[d]imidazol-5-yl)piperidin-1-yl)-N-methylethanamine
CID 45487348
N-[4-fluoro-3-[6-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 76310659
N-[4-fluoro-3-[6-(6-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 76314291
(6-(1-((6-Methoxypyridin-3-yl)methyl)piperidin-4-yl)-1H-benzo[d]imidazol-2-yl)(4-(4-(trifluoromethyl)benzyl)piperazin-1-yl)methanone
CID 86292820
N-[4-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]phenyl]-2-morpholin-4-ylacetamide
CID 44528762
5-(3-methoxyphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine;hydrochloride
CID 44532879
2-(2-methoxypyridin-3-yl)-4-methyl-6-(piperidin-4-yl)-1H-benzo[d]imidazole
CID 45487378

Frequently Asked Questions

What is the IUPAC name of [4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone?
The IUPAC name of [4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone (CID 118378655) is [4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone.
What is the SMILES notation for [4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone?
The canonical SMILES for [4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone is COc1ccc(CN2CCC(c3ccc4nc(C(=O)N5CCN(Cc6ccc(C(F)(F)F)cc6F)CC5)[nH]c4c3)CC2)cn1.
What is the InChIKey of [4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone?
The InChIKey is YSDOFGBITHORQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F4N6O2/c1-44-29-7-2-21(18-37-29)19-40-10-8-22(9-11-40)23-4-6-27-28(16-23)39-30(38-27)31(43)42-14-12-41(13-15-42)20-24-3-5-25(17-26(24)33)32(34,35)36/h2-7,16-18,22H,8-15,19-20H2,1H3,(H,38,39).
What are the key properties of [4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone?
[4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone has a molecular weight of 610.66 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone is sourced from PubChem (CID 118378655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).