2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)-1H-imidazol-2-yl]ethyl]benzamide

C19H14ClFN4O — CID 173124469

IUPAC2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)-1H-imidazol-2-yl]ethyl]benzamide
SMILESN#Cc1ccc(-c2nc(CCc3ccccc3C(N)=O)[nH]c2Cl)cc1F
InChIInChI=1S/C19H14ClFN4O/c20-18-17(12-5-6-13(10-22)15(21)9-12)24-16(25-18)8-7-11-3-1-2-4-14(11)19(23)26/h1-6,9H,7-8H2,(H2,23,26)(H,24,25)
InChIKeyKELIELKIOJACCP-UHFFFAOYSA-N
MW368.80 g/mol
LogP3.62
Rot. Bonds5

About 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)-1H-imidazol-2-yl]ethyl]benzamide

2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)-1H-imidazol-2-yl]ethyl]benzamide (PubChem CID 173124469) has the molecular formula C19H14ClFN4O and a molecular weight of 368.80 g/mol. Its IUPAC name is 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)-1H-imidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)-1H-imidazol-2-yl]ethyl]benzamide
PubChem CID173124469
Molecular FormulaC19H14ClFN4O
Molecular Weight368.80 g/mol
Exact Mass368.08
IUPAC Name2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)-1H-imidazol-2-yl]ethyl]benzamide
SMILESN#Cc1ccc(-c2nc(CCc3ccccc3C(N)=O)[nH]c2Cl)cc1F
InChIInChI=1S/C19H14ClFN4O/c20-18-17(12-5-6-13(10-22)15(21)9-12)24-16(25-18)8-7-11-3-1-2-4-14(11)19(23)26/h1-6,9H,7-8H2,(H2,23,26)(H,24,25)
InChIKeyKELIELKIOJACCP-UHFFFAOYSA-N
XLogP3.62
TPSA95.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)-1H-imidazol-2-yl]ethyl]benzamide?
The IUPAC name of 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)-1H-imidazol-2-yl]ethyl]benzamide (CID 173124469) is 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)-1H-imidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)-1H-imidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)-1H-imidazol-2-yl]ethyl]benzamide is N#Cc1ccc(-c2nc(CCc3ccccc3C(N)=O)[nH]c2Cl)cc1F.
What is the InChIKey of 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)-1H-imidazol-2-yl]ethyl]benzamide?
The InChIKey is KELIELKIOJACCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O/c20-18-17(12-5-6-13(10-22)15(21)9-12)24-16(25-18)8-7-11-3-1-2-4-14(11)19(23)26/h1-6,9H,7-8H2,(H2,23,26)(H,24,25).
What are the key properties of 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)-1H-imidazol-2-yl]ethyl]benzamide?
2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)-1H-imidazol-2-yl]ethyl]benzamide has a molecular weight of 368.80 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-chloro-4-(4-cyano-3-fluorophenyl)-1H-imidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 173124469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).