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

C26H28FN5O2S — CID 4890091

IUPACN-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide
SMILESCn1c(CCN2CCN(c3ccc(F)cc3)CC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C26H28FN5O2S/c1-30-25-12-9-21(29-35(33,34)23-5-3-2-4-6-23)19-24(25)28-26(30)13-14-31-15-17-32(18-16-31)22-10-7-20(27)8-11-22/h2-12,19,29H,13-18H2,1H3
InChIKeyWVPHADFRHKKKRC-UHFFFAOYSA-N
MW493.61 g/mol
LogP3.88
Rot. Bonds7

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

N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide (PubChem CID 4890091) has the molecular formula C26H28FN5O2S and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide
PubChem CID4890091
Molecular FormulaC26H28FN5O2S
Molecular Weight493.61 g/mol
Exact Mass493.19
IUPAC NameN-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide
SMILESCn1c(CCN2CCN(c3ccc(F)cc3)CC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C26H28FN5O2S/c1-30-25-12-9-21(29-35(33,34)23-5-3-2-4-6-23)19-24(25)28-26(30)13-14-31-15-17-32(18-16-31)22-10-7-20(27)8-11-22/h2-12,19,29H,13-18H2,1H3
InChIKeyWVPHADFRHKKKRC-UHFFFAOYSA-N
XLogP3.88
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide
CID 4910865
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide
CID 4898424
N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide
CID 17218688
1-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-3-phenylurea
CID 4886323
N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide
CID 4886719
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-3-nitrobenzamide
CID 4895850
4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide
CID 17244510
4-chloro-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide
CID 17218638
4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide
CID 4886121
4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide
CID 110288174
N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]benzenesulfonamide
CID 134096072
N-[2-(4-methoxyphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide
CID 2038541

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide (CID 4890091) is N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide is Cn1c(CCN2CCN(c3ccc(F)cc3)CC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide?
The InChIKey is WVPHADFRHKKKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2S/c1-30-25-12-9-21(29-35(33,34)23-5-3-2-4-6-23)19-24(25)28-26(30)13-14-31-15-17-32(18-16-31)22-10-7-20(27)8-11-22/h2-12,19,29H,13-18H2,1H3.
What are the key properties of N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide?
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide has a molecular weight of 493.61 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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]benzenesulfonamide is sourced from PubChem (CID 4890091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).