2-(6-benzylimidazo[1,2-a]pyrimidin-2-yl)acetic acid

C15H13N3O2 — CID 117000221

IUPAC2-(6-benzylimidazo[1,2-a]pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1cn2cc(Cc3ccccc3)cnc2n1
InChIInChI=1S/C15H13N3O2/c19-14(20)7-13-10-18-9-12(8-16-15(18)17-13)6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,19,20)
InChIKeyQWRGHYQXBNAYIN-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.95
Rot. Bonds4

About 2-(6-benzylimidazo[1,2-a]pyrimidin-2-yl)acetic acid

2-(6-benzylimidazo[1,2-a]pyrimidin-2-yl)acetic acid (PubChem CID 117000221) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(6-benzylimidazo[1,2-a]pyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-benzylimidazo[1,2-a]pyrimidin-2-yl)acetic acid
PubChem CID117000221
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(6-benzylimidazo[1,2-a]pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1cn2cc(Cc3ccccc3)cnc2n1
InChIInChI=1S/C15H13N3O2/c19-14(20)7-13-10-18-9-12(8-16-15(18)17-13)6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,19,20)
InChIKeyQWRGHYQXBNAYIN-UHFFFAOYSA-N
XLogP1.95
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-(2-phenylethoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82055648
(2-ethylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 83827643
2-(7-methylimidazo[1,2-c]pyrimidin-2-yl)acetic acid
CID 82403637
2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid
CID 43310274
2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid
CID 64929348
2-(3-benzylphenyl)acetic acid
CID 22590987
2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid
CID 117001540
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]acetic acid
CID 43170541
2-[6-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82022029
2-(4-imidazo[1,2-a]pyridin-2-yl-2-pyridinyl)acetic acid
CID 82382048
2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid
CID 107461745
naphthalene;2-phenylacetic acid
CID 174965541

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzylimidazo[1,2-a]pyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(6-benzylimidazo[1,2-a]pyrimidin-2-yl)acetic acid (CID 117000221) is 2-(6-benzylimidazo[1,2-a]pyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(6-benzylimidazo[1,2-a]pyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(6-benzylimidazo[1,2-a]pyrimidin-2-yl)acetic acid is O=C(O)Cc1cn2cc(Cc3ccccc3)cnc2n1.
What is the InChIKey of 2-(6-benzylimidazo[1,2-a]pyrimidin-2-yl)acetic acid?
The InChIKey is QWRGHYQXBNAYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-14(20)7-13-10-18-9-12(8-16-15(18)17-13)6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,19,20).
What are the key properties of 2-(6-benzylimidazo[1,2-a]pyrimidin-2-yl)acetic acid?
2-(6-benzylimidazo[1,2-a]pyrimidin-2-yl)acetic acid has a molecular weight of 267.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzylimidazo[1,2-a]pyrimidin-2-yl)acetic acid is sourced from PubChem (CID 117000221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).