3-(2-methylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid

C16H22N2O2 — CID 115932624

IUPAC3-(2-methylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
SMILESCCC(C)(C)n1c(C(C)C)nc2cccc(C(=O)O)c21
InChIInChI=1S/C16H22N2O2/c1-6-16(4,5)18-13-11(15(19)20)8-7-9-12(13)17-14(18)10(2)3/h7-10H,6H2,1-5H3,(H,19,20)
InChIKeyXOBMTSFJRMKLRR-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.00
Rot. Bonds4

About 3-(2-methylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid

3-(2-methylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid (PubChem CID 115932624) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(2-methylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
PubChem CID115932624
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(2-methylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
SMILESCCC(C)(C)n1c(C(C)C)nc2cccc(C(=O)O)c21
InChIInChI=1S/C16H22N2O2/c1-6-16(4,5)18-13-11(15(19)20)8-7-9-12(13)17-14(18)10(2)3/h7-10H,6H2,1-5H3,(H,19,20)
InChIKeyXOBMTSFJRMKLRR-UHFFFAOYSA-N
XLogP4.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid 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-methylbutan-2-yl)-2-propylbenzimidazole-4-carboxylic acid
CID 115932628
3-(3,3-dimethylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 104829416
3-(3-hydroxybutyl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 115933491
3-(4-hydroxybutyl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 106842848
3-(1-ethoxypropan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 115933177
3-[3-(methylamino)-3-oxopropyl]-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 115933201
3-[2-(carbamoylamino)ethyl]-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 115933734
3-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 115932824
2-tert-butyl-3-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid
CID 115933504
2-ethyl-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzimidazole-4-carboxylic acid
CID 107866416
2-tert-butyl-3-(3-methylbutyl)benzimidazole-4-carboxylic acid
CID 115932790
3-(2,3-dimethylbutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577342

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid?
The IUPAC name of 3-(2-methylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid (CID 115932624) is 3-(2-methylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(2-methylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(2-methylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid is CCC(C)(C)n1c(C(C)C)nc2cccc(C(=O)O)c21.
What is the InChIKey of 3-(2-methylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid?
The InChIKey is XOBMTSFJRMKLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-6-16(4,5)18-13-11(15(19)20)8-7-9-12(13)17-14(18)10(2)3/h7-10H,6H2,1-5H3,(H,19,20).
What are the key properties of 3-(2-methylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid?
3-(2-methylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 115932624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).