2-(4-methylpiperazin-1-yl)-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]benzimidazole-1-carboxamide

C20H26F3N5O — CID 175826573

IUPAC2-(4-methylpiperazin-1-yl)-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]benzimidazole-1-carboxamide
SMILESCN1CCN(c2nc3ccccc3n2C(=O)NCCCC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C20H26F3N5O/c1-26-11-13-27(14-12-26)17-25-15-5-2-3-6-16(15)28(17)18(29)24-10-4-7-19(8-9-19)20(21,22)23/h2-3,5-6H,4,7-14H2,1H3,(H,24,29)
InChIKeyOFOKSDDWRXLJSJ-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.47
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]benzimidazole-1-carboxamide

2-(4-methylpiperazin-1-yl)-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]benzimidazole-1-carboxamide (PubChem CID 175826573) has the molecular formula C20H26F3N5O and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]benzimidazole-1-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]benzimidazole-1-carboxamide
PubChem CID175826573
Molecular FormulaC20H26F3N5O
Molecular Weight409.46 g/mol
Exact Mass409.21
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]benzimidazole-1-carboxamide
SMILESCN1CCN(c2nc3ccccc3n2C(=O)NCCCC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C20H26F3N5O/c1-26-11-13-27(14-12-26)17-25-15-5-2-3-6-16(15)28(17)18(29)24-10-4-7-19(8-9-19)20(21,22)23/h2-3,5-6H,4,7-14H2,1H3,(H,24,29)
InChIKeyOFOKSDDWRXLJSJ-UHFFFAOYSA-N
XLogP3.47
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]imidazole-1-carboxamide
CID 156708465
2-(4-acetylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzimidazole-1-carboxamide
CID 175826630
2-[4-(1-methylazetidin-3-yl)piperazin-1-yl]-N-(3-phenylprop-2-ynyl)benzimidazole-1-carboxamide
CID 175826567
2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide
CID 175826560
4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 46375439
2-(4-cyclopropyl-3-oxopiperazin-1-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide
CID 175826540
N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 651770
N-butyl-2-methylbenzimidazole-1-carboxamide carbamate
CID 19876932
N-butyl-2-methylsulfanylbenzimidazole-1-carboxamide
CID 5096202
2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone
CID 66489703
bis((Z)-but-2-enedioic acid);1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole
CID 46878555
9-[4-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 22636256

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]benzimidazole-1-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]benzimidazole-1-carboxamide (CID 175826573) is 2-(4-methylpiperazin-1-yl)-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]benzimidazole-1-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]benzimidazole-1-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]benzimidazole-1-carboxamide is CN1CCN(c2nc3ccccc3n2C(=O)NCCCC2(C(F)(F)F)CC2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]benzimidazole-1-carboxamide?
The InChIKey is OFOKSDDWRXLJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O/c1-26-11-13-27(14-12-26)17-25-15-5-2-3-6-16(15)28(17)18(29)24-10-4-7-19(8-9-19)20(21,22)23/h2-3,5-6H,4,7-14H2,1H3,(H,24,29).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]benzimidazole-1-carboxamide?
2-(4-methylpiperazin-1-yl)-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]benzimidazole-1-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]benzimidazole-1-carboxamide is sourced from PubChem (CID 175826573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).