2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid

C18H26N2O2 — CID 82142178

IUPAC2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid
SMILESCC(C)CCn1c(C(C)(C)C)nc2cc(CC(=O)O)ccc21
InChIInChI=1S/C18H26N2O2/c1-12(2)8-9-20-15-7-6-13(11-16(21)22)10-14(15)19-17(20)18(3,4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H,21,22)
InChIKeyJZFRGMWWBARVDY-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.01
Rot. Bonds5

About 2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid

2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid (PubChem CID 82142178) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid
PubChem CID82142178
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid
SMILESCC(C)CCn1c(C(C)(C)C)nc2cc(CC(=O)O)ccc21
InChIInChI=1S/C18H26N2O2/c1-12(2)8-9-20-15-7-6-13(11-16(21)22)10-14(15)19-17(20)18(3,4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H,21,22)
InChIKeyJZFRGMWWBARVDY-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid
CID 82142132
2-tert-butyl-3-(3-methylbutyl)benzimidazole-5-carboxylic acid
CID 82768908
2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine
CID 115326894
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
3-(2-tert-butyl-1-methylbenzimidazol-5-yl)-2-methylpropanoic acid
CID 117438712
2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid
CID 82142232
2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
CID 82142121
2-tert-butyl-3-(3-methylbutyl)benzimidazole-4-carboxylic acid
CID 115932790
2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
CID 94742956
3-(3-methylbutyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 82768907
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid
CID 82142130

Frequently Asked Questions

What is the IUPAC name of 2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid (CID 82142178) is 2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid is CC(C)CCn1c(C(C)(C)C)nc2cc(CC(=O)O)ccc21.
What is the InChIKey of 2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid?
The InChIKey is JZFRGMWWBARVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(2)8-9-20-15-7-6-13(11-16(21)22)10-14(15)19-17(20)18(3,4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H,21,22).
What are the key properties of 2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid?
2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid has a molecular weight of 302.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid is sourced from PubChem (CID 82142178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).