3-methyl-2-[(2-propyl-3H-benzimidazol-5-yl)oxy]butanoic acid

C15H20N2O3 — CID 84816308

IUPAC3-methyl-2-[(2-propyl-3H-benzimidazol-5-yl)oxy]butanoic acid
SMILESCCCc1nc2ccc(OC(C(=O)O)C(C)C)cc2[nH]1
InChIInChI=1S/C15H20N2O3/c1-4-5-13-16-11-7-6-10(8-12(11)17-13)20-14(9(2)3)15(18)19/h6-9,14H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyRFBFDVPRAGPTAH-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.00
Rot. Bonds6

About 3-methyl-2-[(2-propyl-3H-benzimidazol-5-yl)oxy]butanoic acid

3-methyl-2-[(2-propyl-3H-benzimidazol-5-yl)oxy]butanoic acid (PubChem CID 84816308) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-methyl-2-[(2-propyl-3H-benzimidazol-5-yl)oxy]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-propyl-3H-benzimidazol-5-yl)oxy]butanoic acid
PubChem CID84816308
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-methyl-2-[(2-propyl-3H-benzimidazol-5-yl)oxy]butanoic acid
SMILESCCCc1nc2ccc(OC(C(=O)O)C(C)C)cc2[nH]1
InChIInChI=1S/C15H20N2O3/c1-4-5-13-16-11-7-6-10(8-12(11)17-13)20-14(9(2)3)15(18)19/h6-9,14H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyRFBFDVPRAGPTAH-UHFFFAOYSA-N
XLogP3.00
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid
CID 84816306
2-propyl-3H-benzimidazole-5-carbaldehyde
CID 45077925
3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine
CID 82331922
2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82331939
2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid
CID 82331853
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
6-ethoxy-2-heptadecyl-1H-benzimidazole
CID 71336716
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041
2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone
CID 82052710
6-methylsulfanyl-2-propyl-1H-benzimidazole
CID 25213187
2-(propan-2-yloxymethyl)-3H-benzimidazole-5-carboxylic acid
CID 112603089
2-pentadecyl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 158269764

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-propyl-3H-benzimidazol-5-yl)oxy]butanoic acid?
The IUPAC name of 3-methyl-2-[(2-propyl-3H-benzimidazol-5-yl)oxy]butanoic acid (CID 84816308) is 3-methyl-2-[(2-propyl-3H-benzimidazol-5-yl)oxy]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(2-propyl-3H-benzimidazol-5-yl)oxy]butanoic acid?
The canonical SMILES for 3-methyl-2-[(2-propyl-3H-benzimidazol-5-yl)oxy]butanoic acid is CCCc1nc2ccc(OC(C(=O)O)C(C)C)cc2[nH]1.
What is the InChIKey of 3-methyl-2-[(2-propyl-3H-benzimidazol-5-yl)oxy]butanoic acid?
The InChIKey is RFBFDVPRAGPTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-5-13-16-11-7-6-10(8-12(11)17-13)20-14(9(2)3)15(18)19/h6-9,14H,4-5H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-2-[(2-propyl-3H-benzimidazol-5-yl)oxy]butanoic acid?
3-methyl-2-[(2-propyl-3H-benzimidazol-5-yl)oxy]butanoic acid has a molecular weight of 276.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-propyl-3H-benzimidazol-5-yl)oxy]butanoic acid is sourced from PubChem (CID 84816308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).