2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide

C15H20N4O — CID 62351342

IUPAC2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide
SMILESCCn1ccnc1CNc1ccccc1C(=O)N(C)C
InChIInChI=1S/C15H20N4O/c1-4-19-10-9-16-14(19)11-17-13-8-6-5-7-12(13)15(20)18(2)3/h5-10,17H,4,11H2,1-3H3
InChIKeyOGQRWDSMULXYEU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.22
Rot. Bonds5

About 2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide

2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide (PubChem CID 62351342) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide
PubChem CID62351342
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide
SMILESCCn1ccnc1CNc1ccccc1C(=O)N(C)C
InChIInChI=1S/C15H20N4O/c1-4-19-10-9-16-14(19)11-17-13-8-6-5-7-12(13)15(20)18(2)3/h5-10,17H,4,11H2,1-3H3
InChIKeyOGQRWDSMULXYEU-UHFFFAOYSA-N
XLogP2.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine
CID 79041847
N-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 154879514
N,N-dimethyl-2-(pyridin-2-ylmethylamino)benzamide
CID 43738317
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 154880576
N,N,2-trimethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]benzamide
CID 71871409
N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline
CID 62355714
2-bromo-3-chloro-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 103478138
3-N-[(1-ethylimidazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 62355893
methyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate
CID 62738094
N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62755607
2-[(2-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43432309
N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide
CID 78882971

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide (CID 62351342) is 2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide is CCn1ccnc1CNc1ccccc1C(=O)N(C)C.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is OGQRWDSMULXYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-19-10-9-16-14(19)11-17-13-8-6-5-7-12(13)15(20)18(2)3/h5-10,17H,4,11H2,1-3H3.
What are the key properties of 2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide?
2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 272.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 62351342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).