5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide

C16H22N4O — CID 120644394

IUPAC5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCC(C)Cn1ccnc1C
InChIInChI=1S/C16H22N4O/c1-11(10-20-7-6-18-13(20)3)9-19-16(21)15-8-14(17)5-4-12(15)2/h4-8,11H,9-10,17H2,1-3H3,(H,19,21)
InChIKeyGMLSXVQBRHLEKV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.15
Rot. Bonds5

About 5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide

5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide (PubChem CID 120644394) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide
PubChem CID120644394
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCC(C)Cn1ccnc1C
InChIInChI=1S/C16H22N4O/c1-11(10-20-7-6-18-13(20)3)9-19-16(21)15-8-14(17)5-4-12(15)2/h4-8,11H,9-10,17H2,1-3H3,(H,19,21)
InChIKeyGMLSXVQBRHLEKV-UHFFFAOYSA-N
XLogP2.15
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride
CID 120647272
2,6-dimethyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]quinoline-3-carboxamide
CID 94563352
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 119857841
N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 95278903
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 110911491
1-[(2S)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 124846701
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60559475
4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 119857880
5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide
CID 120632622
3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 120612579
1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119857869
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride
CID 119857824

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide (CID 120644394) is 5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide is Cc1ccc(N)cc1C(=O)NCC(C)Cn1ccnc1C.
What is the InChIKey of 5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide?
The InChIKey is GMLSXVQBRHLEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(10-20-7-6-18-13(20)3)9-19-16(21)15-8-14(17)5-4-12(15)2/h4-8,11H,9-10,17H2,1-3H3,(H,19,21).
What are the key properties of 5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide?
5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide has a molecular weight of 286.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide is sourced from PubChem (CID 120644394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).