N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen

C22H35N3O — CID 143022132

IUPACN-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen
SMILESCC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCCCC1.[H][H]
InChIInChI=1S/C22H33N3O.H2/c1-16(26)23-18-12-13-20-19(14-18)24-21(22(2,3)4)25(20)15-17-10-8-6-5-7-9-11-17;/h12-14,17H,5-11,15H2,1-4H3,(H,23,26);1H
InChIKeyXWZCZOQGQNNXTC-UHFFFAOYSA-N
MW357.54 g/mol
LogP5.90
Rot. Bonds3

About N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen

N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen (PubChem CID 143022132) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen
PubChem CID143022132
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC NameN-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen
SMILESCC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCCCC1.[H][H]
InChIInChI=1S/C22H33N3O.H2/c1-16(26)23-18-12-13-20-19(14-18)24-21(22(2,3)4)25(20)15-17-10-8-6-5-7-9-11-17;/h12-14,17H,5-11,15H2,1-4H3,(H,23,26);1H
InChIKeyXWZCZOQGQNNXTC-UHFFFAOYSA-N
XLogP5.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]ethanone
CID 142973004
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]benzenesulfonamide
CID 11166194
N-[4-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]acetamide
CID 118945803
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
2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
CID 62506214
2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide
CID 142973031
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,2,2-trimethylpropanamide
CID 11338075
2-tert-butyl-1-(cyclobutylmethyl)benzimidazole-5-thiol
CID 58010440
N-[[5-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]sulfonyl-2-pyridinyl]methyl]acetamide
CID 118945867
2-tert-butyl-1-(cyclohexylmethyl)-5-(1-hydroxypyridin-1-ium-4-yl)sulfinylbenzimidazole
CID 162155045
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

Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen?
The IUPAC name of N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen (CID 143022132) is N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen.
What is the SMILES notation for N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen?
The canonical SMILES for N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen is CC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCCCC1.[H][H].
What is the InChIKey of N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen?
The InChIKey is XWZCZOQGQNNXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O.H2/c1-16(26)23-18-12-13-20-19(14-18)24-21(22(2,3)4)25(20)15-17-10-8-6-5-7-9-11-17;/h12-14,17H,5-11,15H2,1-4H3,(H,23,26);1H.
What are the key properties of N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen?
N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen has a molecular weight of 357.54 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 143022132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).