N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine

C43H63N7O3S — CID 158973153

IUPACN-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine
SMILESCNc1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCC1.Cc1noc(C)c1S(=O)(=O)N(C)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCC1
InChIInChI=1S/C24H34N4O3S.C19H29N3/c1-16-22(17(2)31-26-16)32(29,30)27(6)19-12-13-21-20(14-19)25-23(24(3,4)5)28(21)15-18-10-8-7-9-11-18;1-19(2,3)18-21-16-12-15(20-4)10-11-17(16)22(18)13-14-8-6-5-7-9-14/h12-14,18H,7-11,15H2,1-6H3;10-12,14,20H,5-9,13H2,1-4H3
InChIKeyJOBKEUXJEZBGFT-UHFFFAOYSA-N
MW758.09 g/mol
LogP10.30
Rot. Bonds8

About N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine

N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine (PubChem CID 158973153) has the molecular formula C43H63N7O3S and a molecular weight of 758.09 g/mol. Its IUPAC name is N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine.

Molecular Properties

Compound NameN-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine
PubChem CID158973153
Molecular FormulaC43H63N7O3S
Molecular Weight758.09 g/mol
Exact Mass757.47
IUPAC NameN-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine
SMILESCNc1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCC1.Cc1noc(C)c1S(=O)(=O)N(C)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCC1
InChIInChI=1S/C24H34N4O3S.C19H29N3/c1-16-22(17(2)31-26-16)32(29,30)27(6)19-12-13-21-20(14-19)25-23(24(3,4)5)28(21)15-18-10-8-7-9-11-18;1-19(2,3)18-21-16-12-15(20-4)10-11-17(16)22(18)13-14-8-6-5-7-9-14/h12-14,18H,7-11,15H2,1-6H3;10-12,14,20H,5-9,13H2,1-4H3
InChIKeyJOBKEUXJEZBGFT-UHFFFAOYSA-N
XLogP10.30
TPSA111.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.09
LogP ≤ 510.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine with MolForge

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Related Compounds

N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N-methylacetamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine
CID 159730971
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 11178925
4-amino-N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 11408421
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 11465273
4-amino-N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-bromo-N-[4-[[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide
CID 160927804
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,4-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 11168165
N-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 11282152
3-amino-N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[3-[[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-methylsulfamoyl]phenyl]acetamide
CID 159700775
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide
CID 11166194
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,2,2-trimethylpropanamide
CID 11338075
N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen
CID 143022132
N-[3-amino-4-(cyclohexylmethylamino)phenyl]-N-methylthiophene-2-sulfonamide;N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N-methylthiophene-2-sulfonamide
CID 159574203

Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine?
The IUPAC name of N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine (CID 158973153) is N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine.
What is the SMILES notation for N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine?
The canonical SMILES for N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine is CNc1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCC1.Cc1noc(C)c1S(=O)(=O)N(C)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCC1.
What is the InChIKey of N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine?
The InChIKey is JOBKEUXJEZBGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3S.C19H29N3/c1-16-22(17(2)31-26-16)32(29,30)27(6)19-12-13-21-20(14-19)25-23(24(3,4)5)28(21)15-18-10-8-7-9-11-18;1-19(2,3)18-21-16-12-15(20-4)10-11-17(16)22(18)13-14-8-6-5-7-9-14/h12-14,18H,7-11,15H2,1-6H3;10-12,14,20H,5-9,13H2,1-4H3.
What are the key properties of N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine?
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine has a molecular weight of 758.09 g/mol, XLogP of 10.30, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine is sourced from PubChem (CID 158973153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).