2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid

C11H11N3O2 — CID 82560133

IUPAC2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc1Cc1ccccn1
InChIInChI=1S/C11H11N3O2/c15-11(16)8-14-6-5-13-10(14)7-9-3-1-2-4-12-9/h1-6H,7-8H2,(H,15,16)
InChIKeyWWQLDJONTOSPEW-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.95
Rot. Bonds4

About 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid

2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid (PubChem CID 82560133) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid
PubChem CID82560133
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc1Cc1ccccn1
InChIInChI=1S/C11H11N3O2/c15-11(16)8-14-6-5-13-10(14)7-9-3-1-2-4-12-9/h1-6H,7-8H2,(H,15,16)
InChIKeyWWQLDJONTOSPEW-UHFFFAOYSA-N
XLogP0.95
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid
CID 82560014
2-[2-[(2-aminophenyl)methyl]imidazol-1-yl]acetic acid
CID 82558769
2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile
CID 82561469
2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid
CID 82560307
2-[2-[(4-aminophenyl)methyl]imidazol-1-yl]acetic acid
CID 82558589
2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine
CID 82561910
2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]acetic acid
CID 82560223
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
2-[2-[(3-bromo-4-chlorophenyl)methyl]imidazol-1-yl]acetic acid
CID 82560293
CID 131857449
CID 131857449
3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid
CID 19840714
2-(2-methylimidazol-1-yl)acetic acid;zinc
CID 175370537

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid (CID 82560133) is 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid is O=C(O)Cn1ccnc1Cc1ccccn1.
What is the InChIKey of 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid?
The InChIKey is WWQLDJONTOSPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-11(16)8-14-6-5-13-10(14)7-9-3-1-2-4-12-9/h1-6H,7-8H2,(H,15,16).
What are the key properties of 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid?
2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid has a molecular weight of 217.23 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid is sourced from PubChem (CID 82560133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).