2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide

C13H15ClN4O — CID 78825596

IUPAC2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NCc1ncc(Cl)n1C
InChIInChI=1S/C13H15ClN4O/c1-15-13(19)9-5-3-4-6-10(9)16-8-12-17-7-11(14)18(12)2/h3-7,16H,8H2,1-2H3,(H,15,19)
InChIKeyNPYLTWZRDGQBMR-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.05
Rot. Bonds4

About 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide

2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide (PubChem CID 78825596) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide
PubChem CID78825596
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NCc1ncc(Cl)n1C
InChIInChI=1S/C13H15ClN4O/c1-15-13(19)9-5-3-4-6-10(9)16-8-12-17-7-11(14)18(12)2/h3-7,16H,8H2,1-2H3,(H,15,19)
InChIKeyNPYLTWZRDGQBMR-UHFFFAOYSA-N
XLogP2.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 78823802
4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzamide
CID 43088035
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-ethylbenzamide
CID 51134395
N-methyl-2-(prop-2-ynylamino)benzamide
CID 130634693
[1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 111778087
2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide
CID 168640662
methyl 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzoate
CID 78823596
N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43734492
2-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 43217289
5-amino-N-[2-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 81316970
N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66131145
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propylbenzamide
CID 168579862

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide?
The IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide (CID 78825596) is 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide?
The canonical SMILES for 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide is CNC(=O)c1ccccc1NCc1ncc(Cl)n1C.
What is the InChIKey of 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide?
The InChIKey is NPYLTWZRDGQBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-15-13(19)9-5-3-4-6-10(9)16-8-12-17-7-11(14)18(12)2/h3-7,16H,8H2,1-2H3,(H,15,19).
What are the key properties of 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide?
2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide has a molecular weight of 278.74 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 78825596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).