3-[2-(3-bromophenyl)-4-chloro-1H-imidazol-5-yl]propanoic acid

C12H10BrClN2O2 — CID 84608660

IUPAC3-[2-(3-bromophenyl)-4-chloro-1H-imidazol-5-yl]propanoic acid
SMILESO=C(O)CCc1[nH]c(-c2cccc(Br)c2)nc1Cl
InChIInChI=1S/C12H10BrClN2O2/c13-8-3-1-2-7(6-8)12-15-9(11(14)16-12)4-5-10(17)18/h1-3,6H,4-5H2,(H,15,16)(H,17,18)
InChIKeyBXTZRBFMSGEHTM-UHFFFAOYSA-N
MW329.58 g/mol
LogP3.51
Rot. Bonds4

About 3-[2-(3-bromophenyl)-4-chloro-1H-imidazol-5-yl]propanoic acid

3-[2-(3-bromophenyl)-4-chloro-1H-imidazol-5-yl]propanoic acid (PubChem CID 84608660) has the molecular formula C12H10BrClN2O2 and a molecular weight of 329.58 g/mol. Its IUPAC name is 3-[2-(3-bromophenyl)-4-chloro-1H-imidazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-bromophenyl)-4-chloro-1H-imidazol-5-yl]propanoic acid
PubChem CID84608660
Molecular FormulaC12H10BrClN2O2
Molecular Weight329.58 g/mol
Exact Mass327.96
IUPAC Name3-[2-(3-bromophenyl)-4-chloro-1H-imidazol-5-yl]propanoic acid
SMILESO=C(O)CCc1[nH]c(-c2cccc(Br)c2)nc1Cl
InChIInChI=1S/C12H10BrClN2O2/c13-8-3-1-2-7(6-8)12-15-9(11(14)16-12)4-5-10(17)18/h1-3,6H,4-5H2,(H,15,16)(H,17,18)
InChIKeyBXTZRBFMSGEHTM-UHFFFAOYSA-N
XLogP3.51
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.58
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(3-bromophenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82308929
methyl 2-(3-bromophenyl)-5-ethyl-1H-imidazole-4-carboxylate
CID 61410605
3-[2-(3-bromophenyl)-1H-indol-5-yl]propanoic acid
CID 142738569
2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole
CID 78912113
3-[2-(3-bromophenyl)-1,5-dimethylimidazol-4-yl]propanoic acid
CID 84605380
3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82301525
4-[4-(3-bromophenyl)pyrimidin-2-yl]butanoic acid
CID 116899863
2-(3-bromophenyl)-6-chloro-1H-benzimidazole
CID 60646428
2-(3-bromophenyl)-5-chloro-1H-imidazo[4,5-b]pyridine
CID 24904047
methyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate
CID 91686704
2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole
CID 82481071
4-(3-bromophenyl)-2-methylsulfanyl-1H-imidazole-5-carboxylic acid
CID 117224766

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromophenyl)-4-chloro-1H-imidazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(3-bromophenyl)-4-chloro-1H-imidazol-5-yl]propanoic acid (CID 84608660) is 3-[2-(3-bromophenyl)-4-chloro-1H-imidazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(3-bromophenyl)-4-chloro-1H-imidazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(3-bromophenyl)-4-chloro-1H-imidazol-5-yl]propanoic acid is O=C(O)CCc1[nH]c(-c2cccc(Br)c2)nc1Cl.
What is the InChIKey of 3-[2-(3-bromophenyl)-4-chloro-1H-imidazol-5-yl]propanoic acid?
The InChIKey is BXTZRBFMSGEHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2/c13-8-3-1-2-7(6-8)12-15-9(11(14)16-12)4-5-10(17)18/h1-3,6H,4-5H2,(H,15,16)(H,17,18).
What are the key properties of 3-[2-(3-bromophenyl)-4-chloro-1H-imidazol-5-yl]propanoic acid?
3-[2-(3-bromophenyl)-4-chloro-1H-imidazol-5-yl]propanoic acid has a molecular weight of 329.58 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromophenyl)-4-chloro-1H-imidazol-5-yl]propanoic acid is sourced from PubChem (CID 84608660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).