2-[2-(2-hydroxyethyl)-1H-imidazol-5-yl]acetic acid;quinoline

C16H17N3O3 — CID 162245224

IUPAC2-[2-(2-hydroxyethyl)-1H-imidazol-5-yl]acetic acid;quinoline
SMILESO=C(O)Cc1cnc(CCO)[nH]1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H10N2O3/c1-2-6-9-8(4-1)5-3-7-10-9;10-2-1-6-8-4-5(9-6)3-7(11)12/h1-7H;4,10H,1-3H2,(H,8,9)(H,11,12)
InChIKeyZXFZSXBBLYPPMQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.81
Rot. Bonds4

About 2-[2-(2-hydroxyethyl)-1H-imidazol-5-yl]acetic acid;quinoline

2-[2-(2-hydroxyethyl)-1H-imidazol-5-yl]acetic acid;quinoline (PubChem CID 162245224) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)-1H-imidazol-5-yl]acetic acid;quinoline.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)-1H-imidazol-5-yl]acetic acid;quinoline
PubChem CID162245224
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-[2-(2-hydroxyethyl)-1H-imidazol-5-yl]acetic acid;quinoline
SMILESO=C(O)Cc1cnc(CCO)[nH]1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H10N2O3/c1-2-6-9-8(4-1)5-3-7-10-9;10-2-1-6-8-4-5(9-6)3-7(11)12/h1-7H;4,10H,1-3H2,(H,8,9)(H,11,12)
InChIKeyZXFZSXBBLYPPMQ-UHFFFAOYSA-N
XLogP1.81
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline
CID 172709221
2,2-dichloroacetic acid;quinoline
CID 173189076
carbonic acid;quinoline
CID 23206844
CID 174778702
CID 174778702
acetic acid;quinoline
CID 67159702
propan-1-ol;quinoline
CID 160910097
2-(5-benzyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol;quinoline
CID 174406790
quinoline
CID 76974643
1-(2-propyl-1H-imidazol-5-yl)propan-1-ol;quinoline
CID 175606393
3-hydroxypropanal;quinoline
CID 174335574
2-aminoacetic acid;2-[1-(2-hydroxyethyl)imidazol-2-yl]acetic acid;quinoline
CID 174828962
2-quinolin-7-ylacetic acid
CID 18675903

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)-1H-imidazol-5-yl]acetic acid;quinoline?
The IUPAC name of 2-[2-(2-hydroxyethyl)-1H-imidazol-5-yl]acetic acid;quinoline (CID 162245224) is 2-[2-(2-hydroxyethyl)-1H-imidazol-5-yl]acetic acid;quinoline.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)-1H-imidazol-5-yl]acetic acid;quinoline?
The canonical SMILES for 2-[2-(2-hydroxyethyl)-1H-imidazol-5-yl]acetic acid;quinoline is O=C(O)Cc1cnc(CCO)[nH]1.c1ccc2ncccc2c1.
What is the InChIKey of 2-[2-(2-hydroxyethyl)-1H-imidazol-5-yl]acetic acid;quinoline?
The InChIKey is ZXFZSXBBLYPPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C7H10N2O3/c1-2-6-9-8(4-1)5-3-7-10-9;10-2-1-6-8-4-5(9-6)3-7(11)12/h1-7H;4,10H,1-3H2,(H,8,9)(H,11,12).
What are the key properties of 2-[2-(2-hydroxyethyl)-1H-imidazol-5-yl]acetic acid;quinoline?
2-[2-(2-hydroxyethyl)-1H-imidazol-5-yl]acetic acid;quinoline has a molecular weight of 299.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)-1H-imidazol-5-yl]acetic acid;quinoline is sourced from PubChem (CID 162245224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).