2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid

C19H20N2O3 — CID 82142105

IUPAC2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid
SMILESCCCn1c(-c2ccccc2OC)nc2cc(CC(=O)O)ccc21
InChIInChI=1S/C19H20N2O3/c1-3-10-21-16-9-8-13(12-18(22)23)11-15(16)20-19(21)14-6-4-5-7-17(14)24-2/h4-9,11H,3,10,12H2,1-2H3,(H,22,23)
InChIKeyQSMJQCOKBFLGQB-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.75
Rot. Bonds6

About 2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid

2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid (PubChem CID 82142105) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid
PubChem CID82142105
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid
SMILESCCCn1c(-c2ccccc2OC)nc2cc(CC(=O)O)ccc21
InChIInChI=1S/C19H20N2O3/c1-3-10-21-16-9-8-13(12-18(22)23)11-15(16)20-19(21)14-6-4-5-7-17(14)24-2/h4-9,11H,3,10,12H2,1-2H3,(H,22,23)
InChIKeyQSMJQCOKBFLGQB-UHFFFAOYSA-N
XLogP3.75
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid
CID 94742947
2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid
CID 82142076
2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
CID 94742956
2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid
CID 82142041
2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid
CID 82142102
4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine
CID 82144688
2-[2-(2-methoxyphenyl)-1,3-benzoxazol-6-yl]acetic acid
CID 82036591
2-(5-cyano-1-propylbenzimidazol-2-yl)benzoic acid
CID 4915316
1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole
CID 170765469
2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid
CID 82142040
2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid
CID 82142230
2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 86717111

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid (CID 82142105) is 2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid is CCCn1c(-c2ccccc2OC)nc2cc(CC(=O)O)ccc21.
What is the InChIKey of 2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid?
The InChIKey is QSMJQCOKBFLGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-10-21-16-9-8-13(12-18(22)23)11-15(16)20-19(21)14-6-4-5-7-17(14)24-2/h4-9,11H,3,10,12H2,1-2H3,(H,22,23).
What are the key properties of 2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid?
2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid has a molecular weight of 324.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid is sourced from PubChem (CID 82142105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).