N-[2-(2-chlorophenyl)-4,5-dimethylimidazol-1-yl]-4-ethylbenzamide

C20H20ClN3O — CID 10155068

IUPACN-[2-(2-chlorophenyl)-4,5-dimethylimidazol-1-yl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nn2c(-c3ccccc3Cl)nc(C)c2C)cc1
InChIInChI=1S/C20H20ClN3O/c1-4-15-9-11-16(12-10-15)20(25)23-24-14(3)13(2)22-19(24)17-7-5-6-8-18(17)21/h5-12H,4H2,1-3H3,(H,23,25)
InChIKeyJRJFNBDECOKGKO-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.77
Rot. Bonds4

About N-[2-(2-chlorophenyl)-4,5-dimethylimidazol-1-yl]-4-ethylbenzamide

N-[2-(2-chlorophenyl)-4,5-dimethylimidazol-1-yl]-4-ethylbenzamide (PubChem CID 10155068) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-4,5-dimethylimidazol-1-yl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-4,5-dimethylimidazol-1-yl]-4-ethylbenzamide
PubChem CID10155068
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC NameN-[2-(2-chlorophenyl)-4,5-dimethylimidazol-1-yl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nn2c(-c3ccccc3Cl)nc(C)c2C)cc1
InChIInChI=1S/C20H20ClN3O/c1-4-15-9-11-16(12-10-15)20(25)23-24-14(3)13(2)22-19(24)17-7-5-6-8-18(17)21/h5-12H,4H2,1-3H3,(H,23,25)
InChIKeyJRJFNBDECOKGKO-UHFFFAOYSA-N
XLogP4.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(2-chlorophenyl)-4,5-dimethylimidazol-1-yl]benzamide
CID 10291991
N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide
CID 23740001
6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 58639429
N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-4-ethoxy-2,5-dimethylbenzamide
CID 10274025
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
(2-chlorophenyl) 4-ethylbenzoate
CID 583746
N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylbenzamide
CID 107301269
2-[2-(2-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethylphenyl)acetamide
CID 50749953
2-[[4-benzyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)propan-1-one
CID 3529732
4-(bromomethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 102851818
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-4,5-dimethylimidazol-1-yl]-4-ethylbenzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-4,5-dimethylimidazol-1-yl]-4-ethylbenzamide (CID 10155068) is N-[2-(2-chlorophenyl)-4,5-dimethylimidazol-1-yl]-4-ethylbenzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-4,5-dimethylimidazol-1-yl]-4-ethylbenzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-4,5-dimethylimidazol-1-yl]-4-ethylbenzamide is CCc1ccc(C(=O)Nn2c(-c3ccccc3Cl)nc(C)c2C)cc1.
What is the InChIKey of N-[2-(2-chlorophenyl)-4,5-dimethylimidazol-1-yl]-4-ethylbenzamide?
The InChIKey is JRJFNBDECOKGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-4-15-9-11-16(12-10-15)20(25)23-24-14(3)13(2)22-19(24)17-7-5-6-8-18(17)21/h5-12H,4H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(2-chlorophenyl)-4,5-dimethylimidazol-1-yl]-4-ethylbenzamide?
N-[2-(2-chlorophenyl)-4,5-dimethylimidazol-1-yl]-4-ethylbenzamide has a molecular weight of 353.85 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-4,5-dimethylimidazol-1-yl]-4-ethylbenzamide is sourced from PubChem (CID 10155068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).