N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide

C18H16ClN3O — CID 31533323

IUPACN-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H16ClN3O/c19-16-3-1-2-14(12-16)8-9-21-18(23)15-4-6-17(7-5-15)22-11-10-20-13-22/h1-7,10-13H,8-9H2,(H,21,23)
InChIKeySJUOMUZYDPZHTE-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.50
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide

N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide (PubChem CID 31533323) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide
PubChem CID31533323
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H16ClN3O/c19-16-3-1-2-14(12-16)8-9-21-18(23)15-4-6-17(7-5-15)22-11-10-20-13-22/h1-7,10-13H,8-9H2,(H,21,23)
InChIKeySJUOMUZYDPZHTE-UHFFFAOYSA-N
XLogP3.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N-[2-(3-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110704025
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049117
4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27838626
N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9403209
3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 154748801
N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide
CID 111102738
N-[2-(3-chlorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102553
N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 91486088
4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide
CID 56545147

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide (CID 31533323) is N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide is O=C(NCCc1cccc(Cl)c1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide?
The InChIKey is SJUOMUZYDPZHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-16-3-1-2-14(12-16)8-9-21-18(23)15-4-6-17(7-5-15)22-11-10-20-13-22/h1-7,10-13H,8-9H2,(H,21,23).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide?
N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide has a molecular weight of 325.80 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 31533323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).