2-[2-(1H-benzimidazol-4-yl)pyrimidin-5-yl]acetic acid

C13H10N4O2 — CID 82381558

IUPAC2-[2-(1H-benzimidazol-4-yl)pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(-c2cccc3[nH]cnc23)nc1
InChIInChI=1S/C13H10N4O2/c18-11(19)4-8-5-14-13(15-6-8)9-2-1-3-10-12(9)17-7-16-10/h1-3,5-7H,4H2,(H,16,17)(H,18,19)
InChIKeyZSSZJLIVYYJAKL-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.65
Rot. Bonds3

About 2-[2-(1H-benzimidazol-4-yl)pyrimidin-5-yl]acetic acid

2-[2-(1H-benzimidazol-4-yl)pyrimidin-5-yl]acetic acid (PubChem CID 82381558) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[2-(1H-benzimidazol-4-yl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1H-benzimidazol-4-yl)pyrimidin-5-yl]acetic acid
PubChem CID82381558
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name2-[2-(1H-benzimidazol-4-yl)pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(-c2cccc3[nH]cnc23)nc1
InChIInChI=1S/C13H10N4O2/c18-11(19)4-8-5-14-13(15-6-8)9-2-1-3-10-12(9)17-7-16-10/h1-3,5-7H,4H2,(H,16,17)(H,18,19)
InChIKeyZSSZJLIVYYJAKL-UHFFFAOYSA-N
XLogP1.65
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1H-benzimidazol-4-yl)pyrimidin-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-1H-benzimidazol-5-yl)acetic acid
CID 130848920
1H-benzimidazole-4-carboxylic acid
CID 2771758
2-(4-fluoro-1H-benzimidazol-5-yl)acetic acid
CID 130882212
4-[5-(1H-benzimidazol-4-yl)furan-2-yl]-1H-benzimidazole
CID 175461908
3-(3H-imidazo[4,5-c]pyridin-7-yl)benzoic acid
CID 162633785
3-(1H-benzimidazol-4-yl)-3-methylbutanoic acid
CID 117310850
1H-benzimidazol-4-ol;hydrobromide
CID 23367367
lithium 1H-benzimidazole-4-carboxylate
CID 141288016
3-(1H-benzimidazol-4-yl)-2-(2-piperidin-1-ylethyl)benzoic acid
CID 154387075
2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid
CID 82381604
4-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 59279265
2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride
CID 3046610

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-benzimidazol-4-yl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(1H-benzimidazol-4-yl)pyrimidin-5-yl]acetic acid (CID 82381558) is 2-[2-(1H-benzimidazol-4-yl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(1H-benzimidazol-4-yl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(1H-benzimidazol-4-yl)pyrimidin-5-yl]acetic acid is O=C(O)Cc1cnc(-c2cccc3[nH]cnc23)nc1.
What is the InChIKey of 2-[2-(1H-benzimidazol-4-yl)pyrimidin-5-yl]acetic acid?
The InChIKey is ZSSZJLIVYYJAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c18-11(19)4-8-5-14-13(15-6-8)9-2-1-3-10-12(9)17-7-16-10/h1-3,5-7H,4H2,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(1H-benzimidazol-4-yl)pyrimidin-5-yl]acetic acid?
2-[2-(1H-benzimidazol-4-yl)pyrimidin-5-yl]acetic acid has a molecular weight of 254.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-benzimidazol-4-yl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 82381558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).