2-(5,6-dimethyl-2-propylbenzimidazol-1-yl)-3-methylbutanoic acid

C17H24N2O2 — CID 82150266

IUPAC2-(5,6-dimethyl-2-propylbenzimidazol-1-yl)-3-methylbutanoic acid
SMILESCCCc1nc2cc(C)c(C)cc2n1C(C(=O)O)C(C)C
InChIInChI=1S/C17H24N2O2/c1-6-7-15-18-13-8-11(4)12(5)9-14(13)19(15)16(10(2)3)17(20)21/h8-10,16H,6-7H2,1-5H3,(H,20,21)
InChIKeyMLOCOBXMYWRVKJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.89
Rot. Bonds5

About 2-(5,6-dimethyl-2-propylbenzimidazol-1-yl)-3-methylbutanoic acid

2-(5,6-dimethyl-2-propylbenzimidazol-1-yl)-3-methylbutanoic acid (PubChem CID 82150266) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2-propylbenzimidazol-1-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(5,6-dimethyl-2-propylbenzimidazol-1-yl)-3-methylbutanoic acid
PubChem CID82150266
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(5,6-dimethyl-2-propylbenzimidazol-1-yl)-3-methylbutanoic acid
SMILESCCCc1nc2cc(C)c(C)cc2n1C(C(=O)O)C(C)C
InChIInChI=1S/C17H24N2O2/c1-6-7-15-18-13-8-11(4)12(5)9-14(13)19(15)16(10(2)3)17(20)21/h8-10,16H,6-7H2,1-5H3,(H,20,21)
InChIKeyMLOCOBXMYWRVKJ-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2-propylbenzimidazol-1-yl)-3-methylbutanoic acid?
The IUPAC name of 2-(5,6-dimethyl-2-propylbenzimidazol-1-yl)-3-methylbutanoic acid (CID 82150266) is 2-(5,6-dimethyl-2-propylbenzimidazol-1-yl)-3-methylbutanoic acid.
What is the SMILES notation for 2-(5,6-dimethyl-2-propylbenzimidazol-1-yl)-3-methylbutanoic acid?
The canonical SMILES for 2-(5,6-dimethyl-2-propylbenzimidazol-1-yl)-3-methylbutanoic acid is CCCc1nc2cc(C)c(C)cc2n1C(C(=O)O)C(C)C.
What is the InChIKey of 2-(5,6-dimethyl-2-propylbenzimidazol-1-yl)-3-methylbutanoic acid?
The InChIKey is MLOCOBXMYWRVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-6-7-15-18-13-8-11(4)12(5)9-14(13)19(15)16(10(2)3)17(20)21/h8-10,16H,6-7H2,1-5H3,(H,20,21).
What are the key properties of 2-(5,6-dimethyl-2-propylbenzimidazol-1-yl)-3-methylbutanoic acid?
2-(5,6-dimethyl-2-propylbenzimidazol-1-yl)-3-methylbutanoic acid has a molecular weight of 288.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-2-propylbenzimidazol-1-yl)-3-methylbutanoic acid is sourced from PubChem (CID 82150266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).