2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide

C15H20N4O — CID 60690893

IUPAC2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NCc2nccn2C)cc1
InChIInChI=1S/C15H20N4O/c1-11(2)15(20)18-13-6-4-12(5-7-13)17-10-14-16-8-9-19(14)3/h4-9,11,17H,10H2,1-3H3,(H,18,20)
InChIKeyDBCMZRMZAZOMIN-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.63
Rot. Bonds5

About 2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide

2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide (PubChem CID 60690893) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
PubChem CID60690893
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NCc2nccn2C)cc1
InChIInChI=1S/C15H20N4O/c1-11(2)15(20)18-13-6-4-12(5-7-13)17-10-14-16-8-9-19(14)3/h4-9,11,17H,10H2,1-3H3,(H,18,20)
InChIKeyDBCMZRMZAZOMIN-UHFFFAOYSA-N
XLogP2.63
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62351704
2-methyl-3-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanoic acid
CID 166253435
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
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1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol
CID 143391179
1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 110446812
2-(1-methylimidazol-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 110474647
2-[4-[(1-methylimidazol-2-yl)methylcarbamoylamino]phenyl]acetic acid
CID 63293690
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76994588
N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
CID 62956453
N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 62357401
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide (CID 60690893) is 2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide is CC(C)C(=O)Nc1ccc(NCc2nccn2C)cc1.
What is the InChIKey of 2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide?
The InChIKey is DBCMZRMZAZOMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)15(20)18-13-6-4-12(5-7-13)17-10-14-16-8-9-19(14)3/h4-9,11,17H,10H2,1-3H3,(H,18,20).
What are the key properties of 2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide?
2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide is sourced from PubChem (CID 60690893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).