N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,2-trimethylimidazole-4-sulfonamide

C24H35N5O2S — CID 11465273

IUPACN-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)c2ccc3c(c2)nc(C(C)(C)C)n3CC2CCCCC2)cn1C
InChIInChI=1S/C24H35N5O2S/c1-17-25-22(16-27(17)5)32(30,31)28(6)19-12-13-21-20(14-19)26-23(24(2,3)4)29(21)15-18-10-8-7-9-11-18/h12-14,16,18H,7-11,15H2,1-6H3
InChIKeyIKVILMJAVGWYBR-UHFFFAOYSA-N
MW457.64 g/mol
LogP4.78
Rot. Bonds5

About N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,2-trimethylimidazole-4-sulfonamide

N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,2-trimethylimidazole-4-sulfonamide (PubChem CID 11465273) has the molecular formula C24H35N5O2S and a molecular weight of 457.64 g/mol. Its IUPAC name is N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,2-trimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,2-trimethylimidazole-4-sulfonamide
PubChem CID11465273
Molecular FormulaC24H35N5O2S
Molecular Weight457.64 g/mol
Exact Mass457.25
IUPAC NameN-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)c2ccc3c(c2)nc(C(C)(C)C)n3CC2CCCCC2)cn1C
InChIInChI=1S/C24H35N5O2S/c1-17-25-22(16-27(17)5)32(30,31)28(6)19-12-13-21-20(14-19)26-23(24(2,3)4)29(21)15-18-10-8-7-9-11-18/h12-14,16,18H,7-11,15H2,1-6H3
InChIKeyIKVILMJAVGWYBR-UHFFFAOYSA-N
XLogP4.78
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,2-trimethylimidazole-4-sulfonamide?
The IUPAC name of N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,2-trimethylimidazole-4-sulfonamide (CID 11465273) is N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,2-trimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,2-trimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,2-trimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)N(C)c2ccc3c(c2)nc(C(C)(C)C)n3CC2CCCCC2)cn1C.
What is the InChIKey of N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,2-trimethylimidazole-4-sulfonamide?
The InChIKey is IKVILMJAVGWYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2S/c1-17-25-22(16-27(17)5)32(30,31)28(6)19-12-13-21-20(14-19)26-23(24(2,3)4)29(21)15-18-10-8-7-9-11-18/h12-14,16,18H,7-11,15H2,1-6H3.
What are the key properties of N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,2-trimethylimidazole-4-sulfonamide?
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,2-trimethylimidazole-4-sulfonamide has a molecular weight of 457.64 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,2-trimethylimidazole-4-sulfonamide is sourced from PubChem (CID 11465273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).