3-(2-methylbutan-2-yl)-2-propylbenzimidazole-4-carboxylic acid

C16H22N2O2 — CID 115932628

IUPAC3-(2-methylbutan-2-yl)-2-propylbenzimidazole-4-carboxylic acid
SMILESCCCc1nc2cccc(C(=O)O)c2n1C(C)(C)CC
InChIInChI=1S/C16H22N2O2/c1-5-8-13-17-12-10-7-9-11(15(19)20)14(12)18(13)16(3,4)6-2/h7,9-10H,5-6,8H2,1-4H3,(H,19,20)
InChIKeyGGHPBYOGERFIKV-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.83
Rot. Bonds5

About 3-(2-methylbutan-2-yl)-2-propylbenzimidazole-4-carboxylic acid

3-(2-methylbutan-2-yl)-2-propylbenzimidazole-4-carboxylic acid (PubChem CID 115932628) 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-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylbutan-2-yl)-2-propylbenzimidazole-4-carboxylic acid
PubChem CID115932628
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(2-methylbutan-2-yl)-2-propylbenzimidazole-4-carboxylic acid
SMILESCCCc1nc2cccc(C(=O)O)c2n1C(C)(C)CC
InChIInChI=1S/C16H22N2O2/c1-5-8-13-17-12-10-7-9-11(15(19)20)14(12)18(13)16(3,4)6-2/h7,9-10H,5-6,8H2,1-4H3,(H,19,20)
InChIKeyGGHPBYOGERFIKV-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-(2-methylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 115932624
3-(4-hydroxybutyl)-2-propylbenzimidazole-4-carboxylic acid
CID 106842855
3-(cyclopropylmethyl)-2-propylbenzimidazole-4-carboxylic acid
CID 112577070
2-ethyl-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzimidazole-4-carboxylic acid
CID 107866416
3-(1-methylcyclopropyl)-2-propylbenzimidazole-4-carboxylic acid
CID 113485834
3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid
CID 82790362
3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid
CID 112577260
3-(1-hydroxy-3-methoxypropan-2-yl)-2-propylbenzimidazole-4-carboxylic acid
CID 106188849
3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid
CID 115932845
3-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 106279149
2-tert-butyl-3-pentylbenzimidazole-4-carboxylic acid
CID 115932801
3-[3-(2-methylbutan-2-yl)-4-oxoquinazolin-2-yl]propanoic acid
CID 61394660

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutan-2-yl)-2-propylbenzimidazole-4-carboxylic acid?
The IUPAC name of 3-(2-methylbutan-2-yl)-2-propylbenzimidazole-4-carboxylic acid (CID 115932628) is 3-(2-methylbutan-2-yl)-2-propylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(2-methylbutan-2-yl)-2-propylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(2-methylbutan-2-yl)-2-propylbenzimidazole-4-carboxylic acid is CCCc1nc2cccc(C(=O)O)c2n1C(C)(C)CC.
What is the InChIKey of 3-(2-methylbutan-2-yl)-2-propylbenzimidazole-4-carboxylic acid?
The InChIKey is GGHPBYOGERFIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-8-13-17-12-10-7-9-11(15(19)20)14(12)18(13)16(3,4)6-2/h7,9-10H,5-6,8H2,1-4H3,(H,19,20).
What are the key properties of 3-(2-methylbutan-2-yl)-2-propylbenzimidazole-4-carboxylic acid?
3-(2-methylbutan-2-yl)-2-propylbenzimidazole-4-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-4-carboxylic acid is sourced from PubChem (CID 115932628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).