N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide

C14H18N4O — CID 62357401

IUPACN-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2nccn2C)c1
InChIInChI=1S/C14H18N4O/c1-3-14(19)17-12-6-4-5-11(9-12)16-10-13-15-7-8-18(13)2/h4-9,16H,3,10H2,1-2H3,(H,17,19)
InChIKeyHXLLYSSCGLVENV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.38
Rot. Bonds5

About N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide

N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide (PubChem CID 62357401) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
PubChem CID62357401
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2nccn2C)c1
InChIInChI=1S/C14H18N4O/c1-3-14(19)17-12-6-4-5-11(9-12)16-10-13-15-7-8-18(13)2/h4-9,16H,3,10H2,1-2H3,(H,17,19)
InChIKeyHXLLYSSCGLVENV-UHFFFAOYSA-N
XLogP2.38
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62355871
3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087909
N-[3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 28662122
N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline
CID 55064678
1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 63295753
5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide
CID 62355697
N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide
CID 43662428
2-[3-[(1-methylimidazol-2-yl)methylamino]phenoxy]benzamide
CID 84586746
N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide
CID 28661898
2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 60690893
N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide
CID 63295796
N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide
CID 28661897

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide?
The IUPAC name of N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide (CID 62357401) is N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide.
What is the SMILES notation for N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide?
The canonical SMILES for N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide is CCC(=O)Nc1cccc(NCc2nccn2C)c1.
What is the InChIKey of N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide?
The InChIKey is HXLLYSSCGLVENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-14(19)17-12-6-4-5-11(9-12)16-10-13-15-7-8-18(13)2/h4-9,16H,3,10H2,1-2H3,(H,17,19).
What are the key properties of N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide?
N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide has a molecular weight of 258.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide is sourced from PubChem (CID 62357401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).