N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide

C24H30FN5O — CID 4898424

IUPACN-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)nc(CCN1CCN(c3ccc(F)cc3)CC1)n2C
InChIInChI=1S/C24H30FN5O/c1-17(2)24(31)26-19-6-9-22-21(16-19)27-23(28(22)3)10-11-29-12-14-30(15-13-29)20-7-4-18(25)5-8-20/h4-9,16-17H,10-15H2,1-3H3,(H,26,31)
InChIKeyHLHVEXPXAROJKP-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.67
Rot. Bonds6

About N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide

N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide (PubChem CID 4898424) has the molecular formula C24H30FN5O and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide
PubChem CID4898424
Molecular FormulaC24H30FN5O
Molecular Weight423.54 g/mol
Exact Mass423.24
IUPAC NameN-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)nc(CCN1CCN(c3ccc(F)cc3)CC1)n2C
InChIInChI=1S/C24H30FN5O/c1-17(2)24(31)26-19-6-9-22-21(16-19)27-23(28(22)3)10-11-29-12-14-30(15-13-29)20-7-4-18(25)5-8-20/h4-9,16-17H,10-15H2,1-3H3,(H,26,31)
InChIKeyHLHVEXPXAROJKP-UHFFFAOYSA-N
XLogP3.67
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-3-nitrobenzamide
CID 4895850
4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide
CID 4886121
2-methyl-N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]propanamide
CID 6416755
1-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-3-phenylurea
CID 4886323
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide
CID 4890091
N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide
CID 4886719
2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152
N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-4-nitrobenzamide
CID 4895623
2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 17236024
2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611212
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide
CID 4900397
N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 4887385

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide?
The IUPAC name of N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide (CID 4898424) is N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc2c(c1)nc(CCN1CCN(c3ccc(F)cc3)CC1)n2C.
What is the InChIKey of N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide?
The InChIKey is HLHVEXPXAROJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O/c1-17(2)24(31)26-19-6-9-22-21(16-19)27-23(28(22)3)10-11-29-12-14-30(15-13-29)20-7-4-18(25)5-8-20/h4-9,16-17H,10-15H2,1-3H3,(H,26,31).
What are the key properties of N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide?
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide has a molecular weight of 423.54 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 4898424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).