2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)benzimidazole

C24H29F3N4 — CID 134084220

IUPAC2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)benzimidazole
SMILESCCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C24H29F3N4/c1-2-3-11-31-22-10-9-20(24(25,26)27)16-21(22)28-23(31)18-30-14-12-29(13-15-30)17-19-7-5-4-6-8-19/h4-10,16H,2-3,11-15,17-18H2,1H3
InChIKeyUSBMVULSLPDKEY-UHFFFAOYSA-N
MW430.52 g/mol
LogP5.17
Rot. Bonds7

About 2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)benzimidazole

2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)benzimidazole (PubChem CID 134084220) has the molecular formula C24H29F3N4 and a molecular weight of 430.52 g/mol. Its IUPAC name is 2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)benzimidazole
PubChem CID134084220
Molecular FormulaC24H29F3N4
Molecular Weight430.52 g/mol
Exact Mass430.23
IUPAC Name2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)benzimidazole
SMILESCCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C24H29F3N4/c1-2-3-11-31-22-10-9-20(24(25,26)27)16-21(22)28-23(31)18-30-14-12-29(13-15-30)17-19-7-5-4-6-8-19/h4-10,16H,2-3,11-15,17-18H2,1H3
InChIKeyUSBMVULSLPDKEY-UHFFFAOYSA-N
XLogP5.17
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.52
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)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

1-benzyl-2-[[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]benzimidazole
CID 139721542
1,2-dibenzyl-5-(trifluoromethyl)benzimidazole
CID 46310965
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
CID 46308123
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide
CID 23611201
1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole
CID 4848547
2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 7063825
N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine
CID 46309723
1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46310977
3-[2-(benzotriazol-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 6481608
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)benzimidazole (CID 134084220) is 2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)benzimidazole is CCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is USBMVULSLPDKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4/c1-2-3-11-31-22-10-9-20(24(25,26)27)16-21(22)28-23(31)18-30-14-12-29(13-15-30)17-19-7-5-4-6-8-19/h4-10,16H,2-3,11-15,17-18H2,1H3.
What are the key properties of 2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)benzimidazole?
2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 430.52 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperazin-1-yl)methyl]-1-butyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 134084220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).