2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide

C30H29N3O2S — CID 20972167

IUPAC2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)cc1C
InChIInChI=1S/C30H29N3O2S/c1-21-19-23(3)29(20-22(21)2)36(34,35)32-25-16-13-24(14-17-25)15-18-30-31-27-11-7-8-12-28(27)33(30)26-9-5-4-6-10-26/h4-14,16-17,19-20,32H,15,18H2,1-3H3
InChIKeyXAHPQHCXODQXPZ-UHFFFAOYSA-N
MW495.65 g/mol
LogP6.54
Rot. Bonds7

About 2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide

2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide (PubChem CID 20972167) has the molecular formula C30H29N3O2S and a molecular weight of 495.65 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
PubChem CID20972167
Molecular FormulaC30H29N3O2S
Molecular Weight495.65 g/mol
Exact Mass495.20
IUPAC Name2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)cc1C
InChIInChI=1S/C30H29N3O2S/c1-21-19-23(3)29(20-22(21)2)36(34,35)32-25-16-13-24(14-17-25)15-18-30-31-27-11-7-8-12-28(27)33(30)26-9-5-4-6-10-26/h4-14,16-17,19-20,32H,15,18H2,1-3H3
InChIKeyXAHPQHCXODQXPZ-UHFFFAOYSA-N
XLogP6.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.65
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 46379549
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 50822902
1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382396
2,4,5-trimethyl-N-phenylbenzenesulfonamide
CID 35725783
1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382413
3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46290493
2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972066
(2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 92866618
N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290501
1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382224
2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16803176
N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide
CID 46290496

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide (CID 20972167) is 2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The InChIKey is XAHPQHCXODQXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O2S/c1-21-19-23(3)29(20-22(21)2)36(34,35)32-25-16-13-24(14-17-25)15-18-30-31-27-11-7-8-12-28(27)33(30)26-9-5-4-6-10-26/h4-14,16-17,19-20,32H,15,18H2,1-3H3.
What are the key properties of 2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide has a molecular weight of 495.65 g/mol, XLogP of 6.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 20972167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).