2-(2-methyl-3H-benzimidazol-5-yl)-2-pyridin-2-ylacetic acid

C15H13N3O2 — CID 116824710

IUPAC2-(2-methyl-3H-benzimidazol-5-yl)-2-pyridin-2-ylacetic acid
SMILESCc1nc2ccc(C(C(=O)O)c3ccccn3)cc2[nH]1
InChIInChI=1S/C15H13N3O2/c1-9-17-11-6-5-10(8-13(11)18-9)14(15(19)20)12-4-2-3-7-16-12/h2-8,14H,1H3,(H,17,18)(H,19,20)
InChIKeyHBHITOSSOFBTRN-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.48
Rot. Bonds3

About 2-(2-methyl-3H-benzimidazol-5-yl)-2-pyridin-2-ylacetic acid

2-(2-methyl-3H-benzimidazol-5-yl)-2-pyridin-2-ylacetic acid (PubChem CID 116824710) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(2-methyl-3H-benzimidazol-5-yl)-2-pyridin-2-ylacetic acid.

Molecular Properties

Compound Name2-(2-methyl-3H-benzimidazol-5-yl)-2-pyridin-2-ylacetic acid
PubChem CID116824710
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(2-methyl-3H-benzimidazol-5-yl)-2-pyridin-2-ylacetic acid
SMILESCc1nc2ccc(C(C(=O)O)c3ccccn3)cc2[nH]1
InChIInChI=1S/C15H13N3O2/c1-9-17-11-6-5-10(8-13(11)18-9)14(15(19)20)12-4-2-3-7-16-12/h2-8,14H,1H3,(H,17,18)(H,19,20)
InChIKeyHBHITOSSOFBTRN-UHFFFAOYSA-N
XLogP2.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diamino-4-(2-methyl-3H-benzimidazol-5-yl)butanoic acid
CID 116942840
2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid
CID 116824679
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
2-methyl-6-(1-phenylmethoxyethyl)-1H-benzimidazole
CID 59857344
2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid
CID 116857491
2-(2-methylphenyl)-2-pyridin-2-ylacetic acid
CID 82040348
ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 117340177
2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116914786
2-(methylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116961662
methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol
CID 116954709
(2-methyl-3H-benzimidazol-5-yl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814093
1-(2-methyl-3H-benzimidazol-5-yl)propane-1,2,3-triol
CID 170818053

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3H-benzimidazol-5-yl)-2-pyridin-2-ylacetic acid?
The IUPAC name of 2-(2-methyl-3H-benzimidazol-5-yl)-2-pyridin-2-ylacetic acid (CID 116824710) is 2-(2-methyl-3H-benzimidazol-5-yl)-2-pyridin-2-ylacetic acid.
What is the SMILES notation for 2-(2-methyl-3H-benzimidazol-5-yl)-2-pyridin-2-ylacetic acid?
The canonical SMILES for 2-(2-methyl-3H-benzimidazol-5-yl)-2-pyridin-2-ylacetic acid is Cc1nc2ccc(C(C(=O)O)c3ccccn3)cc2[nH]1.
What is the InChIKey of 2-(2-methyl-3H-benzimidazol-5-yl)-2-pyridin-2-ylacetic acid?
The InChIKey is HBHITOSSOFBTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-17-11-6-5-10(8-13(11)18-9)14(15(19)20)12-4-2-3-7-16-12/h2-8,14H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-methyl-3H-benzimidazol-5-yl)-2-pyridin-2-ylacetic acid?
2-(2-methyl-3H-benzimidazol-5-yl)-2-pyridin-2-ylacetic acid has a molecular weight of 267.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3H-benzimidazol-5-yl)-2-pyridin-2-ylacetic acid is sourced from PubChem (CID 116824710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).