3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide

C21H25N5O — CID 118769642

IUPAC3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide
SMILESCCCn1ccnc1CNC(=O)c1cccc(-c2cc(CC)nc(C)n2)c1
InChIInChI=1S/C21H25N5O/c1-4-10-26-11-9-22-20(26)14-23-21(27)17-8-6-7-16(12-17)19-13-18(5-2)24-15(3)25-19/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,23,27)
InChIKeyRNNLHRCQRFEOES-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.55
Rot. Bonds7

About 3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide

3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide (PubChem CID 118769642) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide
PubChem CID118769642
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide
SMILESCCCn1ccnc1CNC(=O)c1cccc(-c2cc(CC)nc(C)n2)c1
InChIInChI=1S/C21H25N5O/c1-4-10-26-11-9-22-20(26)14-23-21(27)17-8-6-7-16(12-17)19-13-18(5-2)24-15(3)25-19/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,23,27)
InChIKeyRNNLHRCQRFEOES-UHFFFAOYSA-N
XLogP3.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide
CID 122558606
3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 137027875
3-cyano-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168275
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methyl-N-[(1-propylimidazol-2-yl)methyl]benzimidazole-5-carboxamide
CID 72906682
2-(2-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]acetamide
CID 91768236
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1-propan-2-ylimidazol-2-yl)benzamide
CID 118784183
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide
CID 110440656
3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide
CID 125435137
3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide
CID 122561459
3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide
CID 118765988
N-ethyl-2-methyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 79738067
2-butyl-N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 24794271

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide (CID 118769642) is 3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide is CCCn1ccnc1CNC(=O)c1cccc(-c2cc(CC)nc(C)n2)c1.
What is the InChIKey of 3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide?
The InChIKey is RNNLHRCQRFEOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-4-10-26-11-9-22-20(26)14-23-21(27)17-8-6-7-16(12-17)19-13-18(5-2)24-15(3)25-19/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,23,27).
What are the key properties of 3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide?
3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide has a molecular weight of 363.47 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 118769642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).