4-chloro-3-[(1-ethylimidazol-2-yl)methylamino]benzamide

C13H15ClN4O — CID 62356563

IUPAC4-chloro-3-[(1-ethylimidazol-2-yl)methylamino]benzamide
SMILESCCn1ccnc1CNc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C13H15ClN4O/c1-2-18-6-5-16-12(18)8-17-11-7-9(13(15)19)3-4-10(11)14/h3-7,17H,2,8H2,1H3,(H2,15,19)
InChIKeyZUIZYFDCQOXNJE-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.27
Rot. Bonds5

About 4-chloro-3-[(1-ethylimidazol-2-yl)methylamino]benzamide

4-chloro-3-[(1-ethylimidazol-2-yl)methylamino]benzamide (PubChem CID 62356563) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-3-[(1-ethylimidazol-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(1-ethylimidazol-2-yl)methylamino]benzamide
PubChem CID62356563
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-chloro-3-[(1-ethylimidazol-2-yl)methylamino]benzamide
SMILESCCn1ccnc1CNc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C13H15ClN4O/c1-2-18-6-5-16-12(18)8-17-11-7-9(13(15)19)3-4-10(11)14/h3-7,17H,2,8H2,1H3,(H2,15,19)
InChIKeyZUIZYFDCQOXNJE-UHFFFAOYSA-N
XLogP2.27
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1-ethylimidazol-2-yl)methyl]-5-fluoroaniline
CID 113255916
4-chloro-3-[(1-methylimidazol-2-yl)methylamino]benzoic acid
CID 82539404
5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide
CID 62357763
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-iodoaniline
CID 55064679
4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66398095
4-chloro-3-(pyrimidin-4-ylmethylamino)benzamide
CID 62760610
2-bromo-3-chloro-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 103478138
4-chloro-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43679399
4-chloro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzamide
CID 62741784
2-chloro-5-[(1-ethylimidazol-2-yl)methylamino]benzonitrile
CID 62357250
4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide
CID 115989561
4-chloro-3-[(2,3-dichlorophenyl)methylamino]benzamide
CID 43679408

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(1-ethylimidazol-2-yl)methylamino]benzamide?
The IUPAC name of 4-chloro-3-[(1-ethylimidazol-2-yl)methylamino]benzamide (CID 62356563) is 4-chloro-3-[(1-ethylimidazol-2-yl)methylamino]benzamide.
What is the SMILES notation for 4-chloro-3-[(1-ethylimidazol-2-yl)methylamino]benzamide?
The canonical SMILES for 4-chloro-3-[(1-ethylimidazol-2-yl)methylamino]benzamide is CCn1ccnc1CNc1cc(C(N)=O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(1-ethylimidazol-2-yl)methylamino]benzamide?
The InChIKey is ZUIZYFDCQOXNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-2-18-6-5-16-12(18)8-17-11-7-9(13(15)19)3-4-10(11)14/h3-7,17H,2,8H2,1H3,(H2,15,19).
What are the key properties of 4-chloro-3-[(1-ethylimidazol-2-yl)methylamino]benzamide?
4-chloro-3-[(1-ethylimidazol-2-yl)methylamino]benzamide has a molecular weight of 278.74 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(1-ethylimidazol-2-yl)methylamino]benzamide is sourced from PubChem (CID 62356563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).