4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide

C17H15ClN4O — CID 166229117

IUPAC4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide
SMILESNC(=O)c1ccc(CNc2ccc(-n3ccnc3)c(Cl)c2)cc1
InChIInChI=1S/C17H15ClN4O/c18-15-9-14(5-6-16(15)22-8-7-20-11-22)21-10-12-1-3-13(4-2-12)17(19)23/h1-9,11,21H,10H2,(H2,19,23)
InChIKeyYMNIKNVCGZKBKU-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.24
Rot. Bonds5

About 4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide

4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide (PubChem CID 166229117) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide.

Molecular Properties

Compound Name4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide
PubChem CID166229117
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide
SMILESNC(=O)c1ccc(CNc2ccc(-n3ccnc3)c(Cl)c2)cc1
InChIInChI=1S/C17H15ClN4O/c18-15-9-14(5-6-16(15)22-8-7-20-11-22)21-10-12-1-3-13(4-2-12)17(19)23/h1-9,11,21H,10H2,(H2,19,23)
InChIKeyYMNIKNVCGZKBKU-UHFFFAOYSA-N
XLogP3.24
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dichloroanilino)methyl]benzamide
CID 28577960
3-chloro-4-imidazol-1-yl-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]aniline
CID 97236678
4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 166218360
3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline
CID 43229429
3-amino-4-imidazol-1-ylbenzamide
CID 43448488
4-[(3,4-dichloroanilino)methyl]benzoic acid
CID 62216410
4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 43678301
2-[6-[(4-imidazol-1-ylphenyl)methylamino]-1,3-benzothiazol-2-yl]-2-oxoacetamide
CID 44515327
N-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide
CID 60607880
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
1-(3-chloro-4-imidazol-1-ylphenyl)-3-[(2S)-6-hydroxy-6-methylheptan-2-yl]urea
CID 125177948
1-[2-chloro-4-(isocyanatomethyl)phenyl]imidazole
CID 117339560

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide?
The IUPAC name of 4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide (CID 166229117) is 4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide.
What is the SMILES notation for 4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide?
The canonical SMILES for 4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide is NC(=O)c1ccc(CNc2ccc(-n3ccnc3)c(Cl)c2)cc1.
What is the InChIKey of 4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide?
The InChIKey is YMNIKNVCGZKBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c18-15-9-14(5-6-16(15)22-8-7-20-11-22)21-10-12-1-3-13(4-2-12)17(19)23/h1-9,11,21H,10H2,(H2,19,23).
What are the key properties of 4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide?
4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide has a molecular weight of 326.79 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide is sourced from PubChem (CID 166229117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).