3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid

C17H24N2O2 — CID 106330527

IUPAC3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCCC(C)(CC)n1c(C(C)C)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C17H24N2O2/c1-6-17(5,7-2)19-14-10-12(16(20)21)8-9-13(14)18-15(19)11(3)4/h8-11H,6-7H2,1-5H3,(H,20,21)
InChIKeyMXYZVHWVZDMGFY-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.39
Rot. Bonds5

About 3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid

3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid (PubChem CID 106330527) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
PubChem CID106330527
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCCC(C)(CC)n1c(C(C)C)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C17H24N2O2/c1-6-17(5,7-2)19-14-10-12(16(20)21)8-9-13(14)18-15(19)11(3)4/h8-11H,6-7H2,1-5H3,(H,20,21)
InChIKeyMXYZVHWVZDMGFY-UHFFFAOYSA-N
XLogP4.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-dihydroxypropan-2-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82790563
3-pentan-3-yl-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82790987
3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82791209
3-(1-methoxy-1-oxopropan-2-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82773480
3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid
CID 82790362
3-(3-ethoxypropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82769807
3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 80502987
3-[3-(dimethylamino)propyl]-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82769309
2-ethyl-3-(2,3,3-trimethylbutyl)benzimidazole-5-carboxylic acid
CID 83142351
1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322894
3-(oxan-4-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82770602
1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322844

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The IUPAC name of 3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid (CID 106330527) is 3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid is CCC(C)(CC)n1c(C(C)C)nc2ccc(C(=O)O)cc21.
What is the InChIKey of 3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The InChIKey is MXYZVHWVZDMGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-6-17(5,7-2)19-14-10-12(16(20)21)8-9-13(14)18-15(19)11(3)4/h8-11H,6-7H2,1-5H3,(H,20,21).
What are the key properties of 3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 106330527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).