6-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2H-chromene-3-carboxamide

C26H19ClFN3O2 — CID 46089773

IUPAC6-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2H-chromene-3-carboxamide
SMILESO=C(NCc1ccc(-c2ncc(-c3ccc(F)cc3)[nH]2)cc1)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C26H19ClFN3O2/c27-21-7-10-24-19(12-21)11-20(15-33-24)26(32)30-13-16-1-3-18(4-2-16)25-29-14-23(31-25)17-5-8-22(28)9-6-17/h1-12,14H,13,15H2,(H,29,31)(H,30,32)
InChIKeyITEAGKUBLZGWOO-UHFFFAOYSA-N
MW459.91 g/mol
LogP5.63
Rot. Bonds5

About 6-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2H-chromene-3-carboxamide

6-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2H-chromene-3-carboxamide (PubChem CID 46089773) has the molecular formula C26H19ClFN3O2 and a molecular weight of 459.91 g/mol. Its IUPAC name is 6-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2H-chromene-3-carboxamide
PubChem CID46089773
Molecular FormulaC26H19ClFN3O2
Molecular Weight459.91 g/mol
Exact Mass459.11
IUPAC Name6-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2H-chromene-3-carboxamide
SMILESO=C(NCc1ccc(-c2ncc(-c3ccc(F)cc3)[nH]2)cc1)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C26H19ClFN3O2/c27-21-7-10-24-19(12-21)11-20(15-33-24)26(32)30-13-16-1-3-18(4-2-16)25-29-14-23(31-25)17-5-8-22(28)9-6-17/h1-12,14H,13,15H2,(H,29,31)(H,30,32)
InChIKeyITEAGKUBLZGWOO-UHFFFAOYSA-N
XLogP5.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.91
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2H-chromene-3-carboxamide (CID 46089773) is 6-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2H-chromene-3-carboxamide is O=C(NCc1ccc(-c2ncc(-c3ccc(F)cc3)[nH]2)cc1)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2H-chromene-3-carboxamide?
The InChIKey is ITEAGKUBLZGWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN3O2/c27-21-7-10-24-19(12-21)11-20(15-33-24)26(32)30-13-16-1-3-18(4-2-16)25-29-14-23(31-25)17-5-8-22(28)9-6-17/h1-12,14H,13,15H2,(H,29,31)(H,30,32).
What are the key properties of 6-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2H-chromene-3-carboxamide?
6-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2H-chromene-3-carboxamide has a molecular weight of 459.91 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 46089773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).