2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide

C17H17N5O3 — CID 121112630

IUPAC2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2cnc(-n3ccnc3C)nc2)c1OC
InChIInChI=1S/C17H17N5O3/c1-11-18-7-8-22(11)17-19-9-12(10-20-17)21-16(23)13-5-4-6-14(24-2)15(13)25-3/h4-10H,1-3H3,(H,21,23)
InChIKeyHLAAMEVKVKUIDX-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.24
Rot. Bonds5

About 2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide

2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 121112630) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
PubChem CID121112630
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2cnc(-n3ccnc3C)nc2)c1OC
InChIInChI=1S/C17H17N5O3/c1-11-18-7-8-22(11)17-19-9-12(10-20-17)21-16(23)13-5-4-6-14(24-2)15(13)25-3/h4-10H,1-3H3,(H,21,23)
InChIKeyHLAAMEVKVKUIDX-UHFFFAOYSA-N
XLogP2.24
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride
CID 71691689
2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 75434860
(E)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 122301006
2-(4-methoxy-3-methylphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301081
4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301151
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
2-methoxy-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide
CID 141110853
2,3-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2970631
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
4-methyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
CID 122301120
N-(5-bromo-2-pyridinyl)-2,3-dimethoxybenzamide
CID 23931504
N-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide
CID 55027603

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide (CID 121112630) is 2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide is COc1cccc(C(=O)Nc2cnc(-n3ccnc3C)nc2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is HLAAMEVKVKUIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-11-18-7-8-22(11)17-19-9-12(10-20-17)21-16(23)13-5-4-6-14(24-2)15(13)25-3/h4-10H,1-3H3,(H,21,23).
What are the key properties of 2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide?
2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 339.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 121112630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).