4-(4-acetamidoimidazol-1-yl)-N-(3-chloro-4-methylphenyl)benzamide;hydrochloride

C19H18Cl2N4O2 — CID 146063389

IUPAC4-(4-acetamidoimidazol-1-yl)-N-(3-chloro-4-methylphenyl)benzamide;hydrochloride
SMILESCC(=O)Nc1cn(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)cn1.Cl
InChIInChI=1S/C19H17ClN4O2.ClH/c1-12-3-6-15(9-17(12)20)23-19(26)14-4-7-16(8-5-14)24-10-18(21-11-24)22-13(2)25;/h3-11H,1-2H3,(H,22,25)(H,23,26);1H
InChIKeyADBPOCZATAFLJK-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.47
Rot. Bonds4

About 4-(4-acetamidoimidazol-1-yl)-N-(3-chloro-4-methylphenyl)benzamide;hydrochloride

4-(4-acetamidoimidazol-1-yl)-N-(3-chloro-4-methylphenyl)benzamide;hydrochloride (PubChem CID 146063389) has the molecular formula C19H18Cl2N4O2 and a molecular weight of 405.29 g/mol. Its IUPAC name is 4-(4-acetamidoimidazol-1-yl)-N-(3-chloro-4-methylphenyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(4-acetamidoimidazol-1-yl)-N-(3-chloro-4-methylphenyl)benzamide;hydrochloride
PubChem CID146063389
Molecular FormulaC19H18Cl2N4O2
Molecular Weight405.29 g/mol
Exact Mass404.08
IUPAC Name4-(4-acetamidoimidazol-1-yl)-N-(3-chloro-4-methylphenyl)benzamide;hydrochloride
SMILESCC(=O)Nc1cn(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)cn1.Cl
InChIInChI=1S/C19H17ClN4O2.ClH/c1-12-3-6-15(9-17(12)20)23-19(26)14-4-7-16(8-5-14)24-10-18(21-11-24)22-13(2)25;/h3-11H,1-2H3,(H,22,25)(H,23,26);1H
InChIKeyADBPOCZATAFLJK-UHFFFAOYSA-N
XLogP4.47
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3-fluoro-4-methylphenyl)benzamide
CID 46390850
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948
N-(3-chloro-4-methylphenyl)-4-hydroxy-3-methylbenzamide
CID 103951695
N-(3-chloro-4-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62184769
N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
CID 7900446
6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 66462281
N-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide
CID 2526021
N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244395
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide
CID 110859301

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidoimidazol-1-yl)-N-(3-chloro-4-methylphenyl)benzamide;hydrochloride?
The IUPAC name of 4-(4-acetamidoimidazol-1-yl)-N-(3-chloro-4-methylphenyl)benzamide;hydrochloride (CID 146063389) is 4-(4-acetamidoimidazol-1-yl)-N-(3-chloro-4-methylphenyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(4-acetamidoimidazol-1-yl)-N-(3-chloro-4-methylphenyl)benzamide;hydrochloride?
The canonical SMILES for 4-(4-acetamidoimidazol-1-yl)-N-(3-chloro-4-methylphenyl)benzamide;hydrochloride is CC(=O)Nc1cn(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)cn1.Cl.
What is the InChIKey of 4-(4-acetamidoimidazol-1-yl)-N-(3-chloro-4-methylphenyl)benzamide;hydrochloride?
The InChIKey is ADBPOCZATAFLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2.ClH/c1-12-3-6-15(9-17(12)20)23-19(26)14-4-7-16(8-5-14)24-10-18(21-11-24)22-13(2)25;/h3-11H,1-2H3,(H,22,25)(H,23,26);1H.
What are the key properties of 4-(4-acetamidoimidazol-1-yl)-N-(3-chloro-4-methylphenyl)benzamide;hydrochloride?
4-(4-acetamidoimidazol-1-yl)-N-(3-chloro-4-methylphenyl)benzamide;hydrochloride has a molecular weight of 405.29 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidoimidazol-1-yl)-N-(3-chloro-4-methylphenyl)benzamide;hydrochloride is sourced from PubChem (CID 146063389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).