4-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]benzamide

C17H14ClN3O — CID 127029806

IUPAC4-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]benzamide
SMILESCn1c(-c2ccc(Cl)cc2)cnc1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C17H14ClN3O/c1-21-15(11-6-8-14(18)9-7-11)10-20-17(21)13-4-2-12(3-5-13)16(19)22/h2-10H,1H3,(H2,19,22)
InChIKeySACWHTSZGSZIFL-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.51
Rot. Bonds3

About 4-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]benzamide

4-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]benzamide (PubChem CID 127029806) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]benzamide
PubChem CID127029806
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name4-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]benzamide
SMILESCn1c(-c2ccc(Cl)cc2)cnc1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C17H14ClN3O/c1-21-15(11-6-8-14(18)9-7-11)10-20-17(21)13-4-2-12(3-5-13)16(19)22/h2-10H,1H3,(H2,19,22)
InChIKeySACWHTSZGSZIFL-UHFFFAOYSA-N
XLogP3.51
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]benzamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]benzamide (CID 127029806) is 4-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]benzamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]benzamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]benzamide is Cn1c(-c2ccc(Cl)cc2)cnc1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]benzamide?
The InChIKey is SACWHTSZGSZIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-21-15(11-6-8-14(18)9-7-11)10-20-17(21)13-4-2-12(3-5-13)16(19)22/h2-10H,1H3,(H2,19,22).
What are the key properties of 4-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]benzamide?
4-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]benzamide has a molecular weight of 311.77 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]benzamide is sourced from PubChem (CID 127029806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).