5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2,3,4-trimethoxybenzoic acid

C19H19N3O5 — CID 155915779

IUPAC5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2,3,4-trimethoxybenzoic acid
SMILESCOc1c(C(=O)O)cc(-c2ccc(Cn3ccnc3)cn2)c(OC)c1OC
InChIInChI=1S/C19H19N3O5/c1-25-16-13(8-14(19(23)24)17(26-2)18(16)27-3)15-5-4-12(9-21-15)10-22-7-6-20-11-22/h4-9,11H,10H2,1-3H3,(H,23,24)
InChIKeyPVSFTVXJOXZJOT-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.72
Rot. Bonds7

About 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2,3,4-trimethoxybenzoic acid

5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2,3,4-trimethoxybenzoic acid (PubChem CID 155915779) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2,3,4-trimethoxybenzoic acid.

Molecular Properties

Compound Name5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2,3,4-trimethoxybenzoic acid
PubChem CID155915779
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2,3,4-trimethoxybenzoic acid
SMILESCOc1c(C(=O)O)cc(-c2ccc(Cn3ccnc3)cn2)c(OC)c1OC
InChIInChI=1S/C19H19N3O5/c1-25-16-13(8-14(19(23)24)17(26-2)18(16)27-3)15-5-4-12(9-21-15)10-22-7-6-20-11-22/h4-9,11H,10H2,1-3H3,(H,23,24)
InChIKeyPVSFTVXJOXZJOT-UHFFFAOYSA-N
XLogP2.72
TPSA95.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2-methoxypyridine
CID 77095111
2-(2-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine
CID 57329788
2-[4-(imidazol-1-ylmethyl)phenoxy]acetic acid
CID 12870444
carbamoyl 3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-5-(2-methylpropyl)thiophene-2-sulfonate
CID 175475386
(E)-3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]prop-2-enoic acid
CID 166452523
5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine
CID 155918504
[4-(imidazol-1-ylmethyl)phenyl]methyl hydrogen carbonate
CID 137392132
1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethoxyphenyl]methyl]imidazole
CID 102363409
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N'-[4-(imidazol-1-ylmethyl)benzoyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78876010
[3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]phenyl]-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone
CID 125436432
bis[4-(imidazol-1-ylmethyl)-3-methoxyphenyl]methanone
CID 57036756

Frequently Asked Questions

What is the IUPAC name of 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2,3,4-trimethoxybenzoic acid?
The IUPAC name of 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2,3,4-trimethoxybenzoic acid (CID 155915779) is 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2,3,4-trimethoxybenzoic acid.
What is the SMILES notation for 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2,3,4-trimethoxybenzoic acid?
The canonical SMILES for 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2,3,4-trimethoxybenzoic acid is COc1c(C(=O)O)cc(-c2ccc(Cn3ccnc3)cn2)c(OC)c1OC.
What is the InChIKey of 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2,3,4-trimethoxybenzoic acid?
The InChIKey is PVSFTVXJOXZJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-25-16-13(8-14(19(23)24)17(26-2)18(16)27-3)15-5-4-12(9-21-15)10-22-7-6-20-11-22/h4-9,11H,10H2,1-3H3,(H,23,24).
What are the key properties of 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2,3,4-trimethoxybenzoic acid?
5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2,3,4-trimethoxybenzoic acid has a molecular weight of 369.38 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2,3,4-trimethoxybenzoic acid is sourced from PubChem (CID 155915779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).