4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide

C22H26FN5O — CID 4886121

IUPAC4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide
SMILESCN1CCN(CCc2nc3cc(NC(=O)c4ccc(F)cc4)ccc3n2C)CC1
InChIInChI=1S/C22H26FN5O/c1-26-11-13-28(14-12-26)10-9-21-25-19-15-18(7-8-20(19)27(21)2)24-22(29)16-3-5-17(23)6-4-16/h3-8,15H,9-14H2,1-2H3,(H,24,29)
InChIKeyAGCGIILADZHBLQ-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.75
Rot. Bonds5

About 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide

4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide (PubChem CID 4886121) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide
PubChem CID4886121
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide
SMILESCN1CCN(CCc2nc3cc(NC(=O)c4ccc(F)cc4)ccc3n2C)CC1
InChIInChI=1S/C22H26FN5O/c1-26-11-13-28(14-12-26)10-9-21-25-19-15-18(7-8-20(19)27(21)2)24-22(29)16-3-5-17(23)6-4-16/h3-8,15H,9-14H2,1-2H3,(H,24,29)
InChIKeyAGCGIILADZHBLQ-UHFFFAOYSA-N
XLogP2.75
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-nitrobenzamide
CID 4970832
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide
CID 4898424
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide
CID 4888721
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-3-nitrobenzamide
CID 4895850
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 4888718
N-[2-[2-(4-benzoylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-nitrobenzamide
CID 4888580
N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-4-nitrobenzamide
CID 4895623
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide
CID 4890224
4-fluoro-N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]benzamide
CID 50745138
N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
CID 4887664
4-fluoro-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]benzamide
CID 53207572
4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236238

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide (CID 4886121) is 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide is CN1CCN(CCc2nc3cc(NC(=O)c4ccc(F)cc4)ccc3n2C)CC1.
What is the InChIKey of 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide?
The InChIKey is AGCGIILADZHBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-26-11-13-28(14-12-26)10-9-21-25-19-15-18(7-8-20(19)27(21)2)24-22(29)16-3-5-17(23)6-4-16/h3-8,15H,9-14H2,1-2H3,(H,24,29).
What are the key properties of 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide?
4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide has a molecular weight of 395.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide is sourced from PubChem (CID 4886121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).