N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1-propan-2-ylimidazol-2-yl)benzamide

C20H23N5O — CID 118784183

IUPACN-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1-propan-2-ylimidazol-2-yl)benzamide
SMILESCc1cc(C)nc(CNC(=O)c2cccc(-c3nccn3C(C)C)c2)n1
InChIInChI=1S/C20H23N5O/c1-13(2)25-9-8-21-19(25)16-6-5-7-17(11-16)20(26)22-12-18-23-14(3)10-15(4)24-18/h5-11,13H,12H2,1-4H3,(H,22,26)
InChIKeyKJQYHOYZDMHSJO-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.47
Rot. Bonds5

About N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1-propan-2-ylimidazol-2-yl)benzamide

N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1-propan-2-ylimidazol-2-yl)benzamide (PubChem CID 118784183) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1-propan-2-ylimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1-propan-2-ylimidazol-2-yl)benzamide
PubChem CID118784183
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1-propan-2-ylimidazol-2-yl)benzamide
SMILESCc1cc(C)nc(CNC(=O)c2cccc(-c3nccn3C(C)C)c2)n1
InChIInChI=1S/C20H23N5O/c1-13(2)25-9-8-21-19(25)16-6-5-7-17(11-16)20(26)22-12-18-23-14(3)10-15(4)24-18/h5-11,13H,12H2,1-4H3,(H,22,26)
InChIKeyKJQYHOYZDMHSJO-UHFFFAOYSA-N
XLogP3.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxy-2-phenylethyl]-N-methyl-3-(1-propan-2-ylimidazol-2-yl)benzamide
CID 125165527
[(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone
CID 125167205
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]benzamide
CID 13114245
5-(1-propan-2-ylimidazol-2-yl)benzene-1,3-dicarboxylic acid
CID 122560785
2-phenyl-1-propan-2-ylimidazole
CID 12997870
3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide
CID 118769642
2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide
CID 54922651
2-[2-(3-methylphenyl)imidazol-1-yl]propanamide
CID 82559003
4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide
CID 122564685
3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide
CID 118791993
3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methylphenyl)methyl]benzamide
CID 53148817
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-fluoro-5-(3-fluoro-4-pyridinyl)benzamide
CID 169419498

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1-propan-2-ylimidazol-2-yl)benzamide?
The IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1-propan-2-ylimidazol-2-yl)benzamide (CID 118784183) is N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1-propan-2-ylimidazol-2-yl)benzamide.
What is the SMILES notation for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1-propan-2-ylimidazol-2-yl)benzamide?
The canonical SMILES for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1-propan-2-ylimidazol-2-yl)benzamide is Cc1cc(C)nc(CNC(=O)c2cccc(-c3nccn3C(C)C)c2)n1.
What is the InChIKey of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1-propan-2-ylimidazol-2-yl)benzamide?
The InChIKey is KJQYHOYZDMHSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13(2)25-9-8-21-19(25)16-6-5-7-17(11-16)20(26)22-12-18-23-14(3)10-15(4)24-18/h5-11,13H,12H2,1-4H3,(H,22,26).
What are the key properties of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1-propan-2-ylimidazol-2-yl)benzamide?
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1-propan-2-ylimidazol-2-yl)benzamide has a molecular weight of 349.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1-propan-2-ylimidazol-2-yl)benzamide is sourced from PubChem (CID 118784183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).