3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid

C16H22N2O2 — CID 82790362

IUPAC3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid
SMILESCCCc1nc2ccc(C(=O)O)cc2n1C(C)(C)CC
InChIInChI=1S/C16H22N2O2/c1-5-7-14-17-12-9-8-11(15(19)20)10-13(12)18(14)16(3,4)6-2/h8-10H,5-7H2,1-4H3,(H,19,20)
InChIKeyURCRARXYRZCRBZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.83
Rot. Bonds5

About 3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid

3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid (PubChem CID 82790362) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid
PubChem CID82790362
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid
SMILESCCCc1nc2ccc(C(=O)O)cc2n1C(C)(C)CC
InChIInChI=1S/C16H22N2O2/c1-5-7-14-17-12-9-8-11(15(19)20)10-13(12)18(14)16(3,4)6-2/h8-10H,5-7H2,1-4H3,(H,19,20)
InChIKeyURCRARXYRZCRBZ-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbenzimidazole-5-carboxylic acid
CID 106097995
3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid
CID 82770724
3-(1-methylpyrazol-4-yl)-2-propylbenzimidazole-5-carboxylic acid
CID 82774444
3-(2-methylbutan-2-yl)-2-propylbenzimidazole-4-carboxylic acid
CID 115932628
3-[1-(methylamino)-1-oxopropan-2-yl]-2-propylbenzimidazole-5-carboxylic acid
CID 82769223
2-propyl-3-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 82774746
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 106330527
2-ethyl-3-(2,3,3-trimethylbutyl)benzimidazole-5-carboxylic acid
CID 83142351
2-ethyl-3-phenylbenzimidazole-5-carboxylic acid
CID 80502841
3-(oxolan-3-ylmethyl)-2-propylbenzimidazole-5-carboxylic acid
CID 82774632
3-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 106279134

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid?
The IUPAC name of 3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid (CID 82790362) is 3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid is CCCc1nc2ccc(C(=O)O)cc2n1C(C)(C)CC.
What is the InChIKey of 3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid?
The InChIKey is URCRARXYRZCRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-7-14-17-12-9-8-11(15(19)20)10-13(12)18(14)16(3,4)6-2/h8-10H,5-7H2,1-4H3,(H,19,20).
What are the key properties of 3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid?
3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 3.83, 5 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-propylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 82790362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).