3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane

C23H39N3O — CID 145335496

IUPAC3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane
SMILESCC.CC(C)(C)C.NC(=O)CCn1c(C2CCCCC2)nc2ccccc21
InChIInChI=1S/C16H21N3O.C5H12.C2H6/c17-15(20)10-11-19-14-9-5-4-8-13(14)18-16(19)12-6-2-1-3-7-12;1-5(2,3)4;1-2/h4-5,8-9,12H,1-3,6-7,10-11H2,(H2,17,20);1-4H3;1-2H3
InChIKeyDICBVNPMMJCJIN-UHFFFAOYSA-N
MW373.59 g/mol
LogP6.04
Rot. Bonds4

About 3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane

3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane (PubChem CID 145335496) has the molecular formula C23H39N3O and a molecular weight of 373.59 g/mol. Its IUPAC name is 3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane.

Molecular Properties

Compound Name3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane
PubChem CID145335496
Molecular FormulaC23H39N3O
Molecular Weight373.59 g/mol
Exact Mass373.31
IUPAC Name3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane
SMILESCC.CC(C)(C)C.NC(=O)CCn1c(C2CCCCC2)nc2ccccc21
InChIInChI=1S/C16H21N3O.C5H12.C2H6/c17-15(20)10-11-19-14-9-5-4-8-13(14)18-16(19)12-6-2-1-3-7-12;1-5(2,3)4;1-2/h4-5,8-9,12H,1-3,6-7,10-11H2,(H2,17,20);1-4H3;1-2H3
InChIKeyDICBVNPMMJCJIN-UHFFFAOYSA-N
XLogP6.04
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.59
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane 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

3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid
CID 28752852
1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide
CID 62507866
2-cyclopentyl-1-(2-phenylethyl)benzimidazole
CID 102490479
3-[3-(2-cyclohexylbenzimidazol-1-yl)propanoyl-(2-phenylethyl)amino]propanoic acid
CID 110077162
4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline
CID 82150076
2-cyclopentyl-1-(3-phenylpropyl)benzimidazole
CID 134083928
1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole
CID 18878714
4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
CID 22716378
2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole
CID 16996610
3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
CID 3627686

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane?
The IUPAC name of 3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane (CID 145335496) is 3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane.
What is the SMILES notation for 3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane?
The canonical SMILES for 3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane is CC.CC(C)(C)C.NC(=O)CCn1c(C2CCCCC2)nc2ccccc21.
What is the InChIKey of 3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane?
The InChIKey is DICBVNPMMJCJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O.C5H12.C2H6/c17-15(20)10-11-19-14-9-5-4-8-13(14)18-16(19)12-6-2-1-3-7-12;1-5(2,3)4;1-2/h4-5,8-9,12H,1-3,6-7,10-11H2,(H2,17,20);1-4H3;1-2H3.
What are the key properties of 3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane?
3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane has a molecular weight of 373.59 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane is sourced from PubChem (CID 145335496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).