3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide

C16H21N3O — CID 148763117

IUPAC3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(C)c(-c2nc(C)[nH]c2C)c1
InChIInChI=1S/C16H21N3O/c1-5-8-17-16(20)13-7-6-10(2)14(9-13)15-11(3)18-12(4)19-15/h6-7,9H,5,8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyOGYBWJKHLJUIIV-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.14
Rot. Bonds4

About 3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide

3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide (PubChem CID 148763117) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide.

Molecular Properties

Compound Name3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide
PubChem CID148763117
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(C)c(-c2nc(C)[nH]c2C)c1
InChIInChI=1S/C16H21N3O/c1-5-8-17-16(20)13-7-6-10(2)14(9-13)15-11(3)18-12(4)19-15/h6-7,9H,5,8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyOGYBWJKHLJUIIV-UHFFFAOYSA-N
XLogP3.14
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylbenzoic acid
CID 90022097
2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
CID 594617
4-methyl-3-nitro-N-propylbenzamide
CID 2057629
6-(propylcarbamoyl)naphthalene-2-carboxylic acid
CID 139642234
N-propylnaphthalene-2-carboxamide
CID 6624536
N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342
3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide
CID 130778455
2-ethyl-N-propylindazole-6-carboxamide
CID 160670510
2,3-diphenyl-N-propylquinoxaline-6-carboxamide
CID 3107662
4-fluoro-3-hydroxy-N-propylbenzamide
CID 130057564
N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532
2,7-dimethyl-N-propyl-1H-indole-3-carboxamide
CID 65335219

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide?
The IUPAC name of 3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide (CID 148763117) is 3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide.
What is the SMILES notation for 3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide?
The canonical SMILES for 3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide is CCCNC(=O)c1ccc(C)c(-c2nc(C)[nH]c2C)c1.
What is the InChIKey of 3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide?
The InChIKey is OGYBWJKHLJUIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-8-17-16(20)13-7-6-10(2)14(9-13)15-11(3)18-12(4)19-15/h6-7,9H,5,8H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide?
3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide has a molecular weight of 271.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide is sourced from PubChem (CID 148763117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).