4-(4-chlorophenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide

C23H18Cl2N4O — CID 11517747

IUPAC4-(4-chlorophenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide
SMILESO=C(NC(Cn1ccnc1)c1ccc(Cl)cn1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18Cl2N4O/c24-19-7-5-17(6-8-19)16-1-3-18(4-2-16)23(30)28-22(14-29-12-11-26-15-29)21-10-9-20(25)13-27-21/h1-13,15,22H,14H2,(H,28,30)
InChIKeyOFVFQHCMYOPFOZ-UHFFFAOYSA-N
MW437.33 g/mol
LogP5.42
Rot. Bonds6

About 4-(4-chlorophenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide

4-(4-chlorophenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide (PubChem CID 11517747) has the molecular formula C23H18Cl2N4O and a molecular weight of 437.33 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide
PubChem CID11517747
Molecular FormulaC23H18Cl2N4O
Molecular Weight437.33 g/mol
Exact Mass436.09
IUPAC Name4-(4-chlorophenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide
SMILESO=C(NC(Cn1ccnc1)c1ccc(Cl)cn1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18Cl2N4O/c24-19-7-5-17(6-8-19)16-1-3-18(4-2-16)23(30)28-22(14-29-12-11-26-15-29)21-10-9-20(25)13-27-21/h1-13,15,22H,14H2,(H,28,30)
InChIKeyOFVFQHCMYOPFOZ-UHFFFAOYSA-N
XLogP5.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.33
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide (CID 11517747) is 4-(4-chlorophenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide is O=C(NC(Cn1ccnc1)c1ccc(Cl)cn1)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide?
The InChIKey is OFVFQHCMYOPFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O/c24-19-7-5-17(6-8-19)16-1-3-18(4-2-16)23(30)28-22(14-29-12-11-26-15-29)21-10-9-20(25)13-27-21/h1-13,15,22H,14H2,(H,28,30).
What are the key properties of 4-(4-chlorophenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide?
4-(4-chlorophenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide has a molecular weight of 437.33 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[1-(5-chloro-2-pyridinyl)-2-imidazol-1-ylethyl]benzamide is sourced from PubChem (CID 11517747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).