4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid

C17H13ClN2O3 — CID 138543159

IUPAC4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(OCc2cccc(Cl)c2)c(-c2ncc[nH]2)c1
InChIInChI=1S/C17H13ClN2O3/c18-13-3-1-2-11(8-13)10-23-15-5-4-12(17(21)22)9-14(15)16-19-6-7-20-16/h1-9H,10H2,(H,19,20)(H,21,22)
InChIKeyDTUVBLQGQZBGMB-UHFFFAOYSA-N
MW328.76 g/mol
LogP4.01
Rot. Bonds5

About 4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid

4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid (PubChem CID 138543159) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid
PubChem CID138543159
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(OCc2cccc(Cl)c2)c(-c2ncc[nH]2)c1
InChIInChI=1S/C17H13ClN2O3/c18-13-3-1-2-11(8-13)10-23-15-5-4-12(17(21)22)9-14(15)16-19-6-7-20-16/h1-9H,10H2,(H,19,20)(H,21,22)
InChIKeyDTUVBLQGQZBGMB-UHFFFAOYSA-N
XLogP4.01
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid
CID 11429983
2-[3-[(3-chlorophenyl)methoxy]phenyl]-1H-imidazole
CID 166632886
5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
CID 7023057
3-chloro-4-[(3-chlorophenyl)methoxy]benzoate
CID 8707027
4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid
CID 59303396
4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid
CID 53228674
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551891
2-(5-chloro-2-prop-2-enoxyphenyl)-1H-imidazole
CID 56723242
4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid
CID 65124850
1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone
CID 82064162
2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole
CID 146672083

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid (CID 138543159) is 4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid is O=C(O)c1ccc(OCc2cccc(Cl)c2)c(-c2ncc[nH]2)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid?
The InChIKey is DTUVBLQGQZBGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c18-13-3-1-2-11(8-13)10-23-15-5-4-12(17(21)22)9-14(15)16-19-6-7-20-16/h1-9H,10H2,(H,19,20)(H,21,22).
What are the key properties of 4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid?
4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid has a molecular weight of 328.76 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid is sourced from PubChem (CID 138543159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).