2-(2-pentan-3-yl-1-propan-2-ylbenzimidazol-5-yl)acetic acid

C17H24N2O2 — CID 82142139

IUPAC2-(2-pentan-3-yl-1-propan-2-ylbenzimidazol-5-yl)acetic acid
SMILESCCC(CC)c1nc2cc(CC(=O)O)ccc2n1C(C)C
InChIInChI=1S/C17H24N2O2/c1-5-13(6-2)17-18-14-9-12(10-16(20)21)7-8-15(14)19(17)11(3)4/h7-9,11,13H,5-6,10H2,1-4H3,(H,20,21)
InChIKeyMGGMJOKXFSGQDE-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.15
Rot. Bonds6

About 2-(2-pentan-3-yl-1-propan-2-ylbenzimidazol-5-yl)acetic acid

2-(2-pentan-3-yl-1-propan-2-ylbenzimidazol-5-yl)acetic acid (PubChem CID 82142139) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(2-pentan-3-yl-1-propan-2-ylbenzimidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-pentan-3-yl-1-propan-2-ylbenzimidazol-5-yl)acetic acid
PubChem CID82142139
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(2-pentan-3-yl-1-propan-2-ylbenzimidazol-5-yl)acetic acid
SMILESCCC(CC)c1nc2cc(CC(=O)O)ccc2n1C(C)C
InChIInChI=1S/C17H24N2O2/c1-5-13(6-2)17-18-14-9-12(10-16(20)21)7-8-15(14)19(17)11(3)4/h7-9,11,13H,5-6,10H2,1-4H3,(H,20,21)
InChIKeyMGGMJOKXFSGQDE-UHFFFAOYSA-N
XLogP4.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]acetic acid
CID 94743217
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid
CID 82142151
2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid
CID 82142232
2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
CID 82144571
2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
CID 82142121
(2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037847
2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid
CID 82142132
ethyl 2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)butanoate
CID 79480803
2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid
CID 82142076
N-butyl-N-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773275
2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide
CID 110786068

Frequently Asked Questions

What is the IUPAC name of 2-(2-pentan-3-yl-1-propan-2-ylbenzimidazol-5-yl)acetic acid?
The IUPAC name of 2-(2-pentan-3-yl-1-propan-2-ylbenzimidazol-5-yl)acetic acid (CID 82142139) is 2-(2-pentan-3-yl-1-propan-2-ylbenzimidazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-pentan-3-yl-1-propan-2-ylbenzimidazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-pentan-3-yl-1-propan-2-ylbenzimidazol-5-yl)acetic acid is CCC(CC)c1nc2cc(CC(=O)O)ccc2n1C(C)C.
What is the InChIKey of 2-(2-pentan-3-yl-1-propan-2-ylbenzimidazol-5-yl)acetic acid?
The InChIKey is MGGMJOKXFSGQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-13(6-2)17-18-14-9-12(10-16(20)21)7-8-15(14)19(17)11(3)4/h7-9,11,13H,5-6,10H2,1-4H3,(H,20,21).
What are the key properties of 2-(2-pentan-3-yl-1-propan-2-ylbenzimidazol-5-yl)acetic acid?
2-(2-pentan-3-yl-1-propan-2-ylbenzimidazol-5-yl)acetic acid has a molecular weight of 288.39 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentan-3-yl-1-propan-2-ylbenzimidazol-5-yl)acetic acid is sourced from PubChem (CID 82142139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).