2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid

C13H16N2O3 — CID 61329129

IUPAC2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid
SMILESCC(C)n1c(COCC(=O)O)nc2ccccc21
InChIInChI=1S/C13H16N2O3/c1-9(2)15-11-6-4-3-5-10(11)14-12(15)7-18-8-13(16)17/h3-6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyINEAEWDPRXPTIW-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.22
Rot. Bonds5

About 2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid

2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid (PubChem CID 61329129) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid
PubChem CID61329129
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid
SMILESCC(C)n1c(COCC(=O)O)nc2ccccc21
InChIInChI=1S/C13H16N2O3/c1-9(2)15-11-6-4-3-5-10(11)14-12(15)7-18-8-13(16)17/h3-6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyINEAEWDPRXPTIW-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
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CID 60835044
ethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate
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N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline
CID 60835042
1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
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(1S,5R)-3-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 122559237
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole
CID 975484
2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid
CID 82024672
2-(piperidin-4-yloxymethyl)-1-propan-2-ylbenzimidazole
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2-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid
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CID 16610071

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid?
The IUPAC name of 2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid (CID 61329129) is 2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid is CC(C)n1c(COCC(=O)O)nc2ccccc21.
What is the InChIKey of 2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid?
The InChIKey is INEAEWDPRXPTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(2)15-11-6-4-3-5-10(11)14-12(15)7-18-8-13(16)17/h3-6,9H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid?
2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid has a molecular weight of 248.28 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid is sourced from PubChem (CID 61329129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).