2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole

C32H36F3N5 — CID 44526395

IUPAC2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESCN1CCCC(CN2CCN(Cc3cccc(-c4ccc(-c5nc6ccc(C(F)(F)F)cc6[nH]5)cc4)c3)CC2)C1
InChIInChI=1S/C32H36F3N5/c1-38-13-3-5-24(20-38)22-40-16-14-39(15-17-40)21-23-4-2-6-27(18-23)25-7-9-26(10-8-25)31-36-29-12-11-28(32(33,34)35)19-30(29)37-31/h2,4,6-12,18-19,24H,3,5,13-17,20-22H2,1H3,(H,36,37)
InChIKeySYRWXCDJEJSVBQ-UHFFFAOYSA-N
MW547.67 g/mol
LogP6.38
Rot. Bonds6

About 2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole

2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 44526395) has the molecular formula C32H36F3N5 and a molecular weight of 547.67 g/mol. Its IUPAC name is 2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID44526395
Molecular FormulaC32H36F3N5
Molecular Weight547.67 g/mol
Exact Mass547.29
IUPAC Name2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESCN1CCCC(CN2CCN(Cc3cccc(-c4ccc(-c5nc6ccc(C(F)(F)F)cc6[nH]5)cc4)c3)CC2)C1
InChIInChI=1S/C32H36F3N5/c1-38-13-3-5-24(20-38)22-40-16-14-39(15-17-40)21-23-4-2-6-27(18-23)25-7-9-26(10-8-25)31-36-29-12-11-28(32(33,34)35)19-30(29)37-31/h2,4,6-12,18-19,24H,3,5,13-17,20-22H2,1H3,(H,36,37)
InChIKeySYRWXCDJEJSVBQ-UHFFFAOYSA-N
XLogP6.38
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.67
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44526314
6-fluoro-2-[4-[4-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44526446
2-[3-[4-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44526462
2-[5-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]thiophen-2-yl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44526438
1-phenyl-N-[[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine
CID 44524496
2-[4-(1-methylpyrazol-4-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 162661835
1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol
CID 44526297
2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol
CID 44525119
1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine
CID 44524498
1-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol
CID 44526303
2,2,2-trifluoroacetic acid;6-[4-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 44525267
6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole
CID 67062523

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole (CID 44526395) is 2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole is CN1CCCC(CN2CCN(Cc3cccc(-c4ccc(-c5nc6ccc(C(F)(F)F)cc6[nH]5)cc4)c3)CC2)C1.
What is the InChIKey of 2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is SYRWXCDJEJSVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F3N5/c1-38-13-3-5-24(20-38)22-40-16-14-39(15-17-40)21-23-4-2-6-27(18-23)25-7-9-26(10-8-25)31-36-29-12-11-28(32(33,34)35)19-30(29)37-31/h2,4,6-12,18-19,24H,3,5,13-17,20-22H2,1H3,(H,36,37).
What are the key properties of 2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole?
2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 547.67 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 44526395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).