2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid

C12H11ClN2O2 — CID 82560014

IUPAC2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc1Cc1ccccc1Cl
InChIInChI=1S/C12H11ClN2O2/c13-10-4-2-1-3-9(10)7-11-14-5-6-15(11)8-12(16)17/h1-6H,7-8H2,(H,16,17)
InChIKeyYTLJTSKLQHTPDZ-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.21
Rot. Bonds4

About 2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid

2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid (PubChem CID 82560014) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid
PubChem CID82560014
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc1Cc1ccccc1Cl
InChIInChI=1S/C12H11ClN2O2/c13-10-4-2-1-3-9(10)7-11-14-5-6-15(11)8-12(16)17/h1-6H,7-8H2,(H,16,17)
InChIKeyYTLJTSKLQHTPDZ-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-aminophenyl)methyl]imidazol-1-yl]acetic acid
CID 82558769
2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid
CID 82560307
2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid
CID 82560133
3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]benzoic acid
CID 82560021
3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol
CID 82560016
2-[2-[(3-bromo-4-chlorophenyl)methyl]imidazol-1-yl]acetic acid
CID 82560293
3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560019
2-[2-[(4-aminophenyl)methyl]imidazol-1-yl]acetic acid
CID 82558589
2-[1-(2-chlorophenyl)imidazol-2-yl]acetic acid
CID 83897346
2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]acetic acid
CID 82560223
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane
CID 144709386

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid (CID 82560014) is 2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid is O=C(O)Cn1ccnc1Cc1ccccc1Cl.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid?
The InChIKey is YTLJTSKLQHTPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-10-4-2-1-3-9(10)7-11-14-5-6-15(11)8-12(16)17/h1-6H,7-8H2,(H,16,17).
What are the key properties of 2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid?
2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid has a molecular weight of 250.69 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid is sourced from PubChem (CID 82560014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).