formic acid;2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]-1H-benzimidazole

C25H33N5O2 — CID 68670178

IUPACformic acid;2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]-1H-benzimidazole
SMILESCN1CCC(CN2CCN(c3cccc(-c4nc5ccccc5[nH]4)c3)CC2)CC1.O=CO
InChIInChI=1S/C24H31N5.CH2O2/c1-27-11-9-19(10-12-27)18-28-13-15-29(16-14-28)21-6-4-5-20(17-21)24-25-22-7-2-3-8-23(22)26-24;2-1-3/h2-8,17,19H,9-16,18H2,1H3,(H,25,26);1H,(H,2,3)
InChIKeyVLWPSLHEPVGOSX-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.39
Rot. Bonds4

About formic acid;2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]-1H-benzimidazole

formic acid;2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]-1H-benzimidazole (PubChem CID 68670178) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is formic acid;2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Nameformic acid;2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]-1H-benzimidazole
PubChem CID68670178
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Nameformic acid;2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]-1H-benzimidazole
SMILESCN1CCC(CN2CCN(c3cccc(-c4nc5ccccc5[nH]4)c3)CC2)CC1.O=CO
InChIInChI=1S/C24H31N5.CH2O2/c1-27-11-9-19(10-12-27)18-28-13-15-29(16-14-28)21-6-4-5-20(17-21)24-25-22-7-2-3-8-23(22)26-24;2-1-3/h2-8,17,19H,9-16,18H2,1H3,(H,25,26);1H,(H,2,3)
InChIKeyVLWPSLHEPVGOSX-UHFFFAOYSA-N
XLogP3.39
TPSA75.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[4-[3-(4-methylpiperazin-1-yl)phenoxy]phenyl]-1H-benzimidazole
CID 71425720
1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 59568070
2-[3-[4-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44526462
1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 171069764
butane;1-[(1-methylpiperidin-4-yl)methyl]-4-phenylpiperazine
CID 171069804
N,N-dimethyl-3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]benzamide
CID 162650023
tert-butyl 3-[[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]methyl]piperidine-1-carboxylate;formic acid
CID 161029585
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
2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole
CID 168555198
2-[3-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]phenyl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44524210
6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole
CID 168514664
2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-benzimidazole
CID 50879804

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]-1H-benzimidazole?
The IUPAC name of formic acid;2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]-1H-benzimidazole (CID 68670178) is formic acid;2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]-1H-benzimidazole.
What is the SMILES notation for formic acid;2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]-1H-benzimidazole?
The canonical SMILES for formic acid;2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]-1H-benzimidazole is CN1CCC(CN2CCN(c3cccc(-c4nc5ccccc5[nH]4)c3)CC2)CC1.O=CO.
What is the InChIKey of formic acid;2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]-1H-benzimidazole?
The InChIKey is VLWPSLHEPVGOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5.CH2O2/c1-27-11-9-19(10-12-27)18-28-13-15-29(16-14-28)21-6-4-5-20(17-21)24-25-22-7-2-3-8-23(22)26-24;2-1-3/h2-8,17,19H,9-16,18H2,1H3,(H,25,26);1H,(H,2,3).
What are the key properties of formic acid;2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]-1H-benzimidazole?
formic acid;2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]-1H-benzimidazole has a molecular weight of 435.57 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 68670178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).