methyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate

C14H15ClN2O2 — CID 174524375

IUPACmethyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate
SMILESCOC(=O)C[C@@H](C)c1cn(-c2cccc(Cl)c2)cn1
InChIInChI=1S/C14H15ClN2O2/c1-10(6-14(18)19-2)13-8-17(9-16-13)12-5-3-4-11(15)7-12/h3-5,7-10H,6H2,1-2H3/t10-/m1/s1
InChIKeyHYAOJQKEXUFOGK-SNVBAGLBSA-N
MW278.74 g/mol
LogP3.19
Rot. Bonds4

About methyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate

methyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate (PubChem CID 174524375) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is methyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate
PubChem CID174524375
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Namemethyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate
SMILESCOC(=O)C[C@@H](C)c1cn(-c2cccc(Cl)c2)cn1
InChIInChI=1S/C14H15ClN2O2/c1-10(6-14(18)19-2)13-8-17(9-16-13)12-5-3-4-11(15)7-12/h3-5,7-10H,6H2,1-2H3/t10-/m1/s1
InChIKeyHYAOJQKEXUFOGK-SNVBAGLBSA-N
XLogP3.19
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
[1-[1-(3-chlorophenyl)imidazol-4-yl]-2-(4-cyanophenyl)ethyl] carbamate
CID 67599748
2-[3-(4-propan-2-ylimidazol-1-yl)phenyl]acetic acid
CID 82513528
1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide
CID 146154715
4-(bromomethyl)-1-(3-chlorophenyl)imidazole
CID 130482648
methyl (3R)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 67070965
methyl 3-(4-chloro-2-fluorophenyl)butanoate
CID 171372756
methyl (3R)-3-(4-chlorophenyl)butanoate
CID 11148562
N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide
CID 139453099
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
3-[2-[[(1S)-1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1H-imidazol-2-one
CID 142748935
methyl 3-(4-methylimidazol-1-yl)benzoate
CID 22224935

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate?
The IUPAC name of methyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate (CID 174524375) is methyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate.
What is the SMILES notation for methyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate?
The canonical SMILES for methyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate is COC(=O)C[C@@H](C)c1cn(-c2cccc(Cl)c2)cn1.
What is the InChIKey of methyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate?
The InChIKey is HYAOJQKEXUFOGK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-10(6-14(18)19-2)13-8-17(9-16-13)12-5-3-4-11(15)7-12/h3-5,7-10H,6H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate?
methyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate has a molecular weight of 278.74 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate is sourced from PubChem (CID 174524375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).