2-chloro-N-[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]acetamide

C18H13ClN4O — CID 70313886

IUPAC2-chloro-N-[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]acetamide
SMILESN#Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CCl)cc1
InChIInChI=1S/C18H13ClN4O/c19-10-17(24)22-18-21-16(14-4-2-1-3-5-14)12-23(18)15-8-6-13(11-20)7-9-15/h1-9,12H,10H2,(H,21,22,24)
InChIKeyRFIDLTOKDHVFLO-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.59
Rot. Bonds4

About 2-chloro-N-[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]acetamide

2-chloro-N-[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]acetamide (PubChem CID 70313886) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]acetamide
PubChem CID70313886
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name2-chloro-N-[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]acetamide
SMILESN#Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CCl)cc1
InChIInChI=1S/C18H13ClN4O/c19-10-17(24)22-18-21-16(14-4-2-1-3-5-14)12-23(18)15-8-6-13(11-20)7-9-15/h1-9,12H,10H2,(H,21,22,24)
InChIKeyRFIDLTOKDHVFLO-UHFFFAOYSA-N
XLogP3.59
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]acetamide (CID 70313886) is 2-chloro-N-[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]acetamide is N#Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]acetamide?
The InChIKey is RFIDLTOKDHVFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c19-10-17(24)22-18-21-16(14-4-2-1-3-5-14)12-23(18)15-8-6-13(11-20)7-9-15/h1-9,12H,10H2,(H,21,22,24).
What are the key properties of 2-chloro-N-[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]acetamide?
2-chloro-N-[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]acetamide has a molecular weight of 336.78 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]acetamide is sourced from PubChem (CID 70313886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).