[2-[1-(3-fluorophenyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone

C21H18FN5O2 — CID 59784961

IUPAC[2-[1-(3-fluorophenyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2nc(-c3cnn(-c4cccc(F)c4)c3)[nH]c2c1)N1CCOCC1
InChIInChI=1S/C21H18FN5O2/c22-16-2-1-3-17(11-16)27-13-15(12-23-27)20-24-18-5-4-14(10-19(18)25-20)21(28)26-6-8-29-9-7-26/h1-5,10-13H,6-9H2,(H,24,25)
InChIKeyIWFJNVJTGLXCAR-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.03
Rot. Bonds3

About [2-[1-(3-fluorophenyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone

[2-[1-(3-fluorophenyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 59784961) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is [2-[1-(3-fluorophenyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[1-(3-fluorophenyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone
PubChem CID59784961
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name[2-[1-(3-fluorophenyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2nc(-c3cnn(-c4cccc(F)c4)c3)[nH]c2c1)N1CCOCC1
InChIInChI=1S/C21H18FN5O2/c22-16-2-1-3-17(11-16)27-13-15(12-23-27)20-24-18-5-4-14(10-19(18)25-20)21(28)26-6-8-29-9-7-26/h1-5,10-13H,6-9H2,(H,24,25)
InChIKeyIWFJNVJTGLXCAR-UHFFFAOYSA-N
XLogP3.03
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(3-fluorophenyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[1-(3-fluorophenyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone (CID 59784961) is [2-[1-(3-fluorophenyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[1-(3-fluorophenyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[1-(3-fluorophenyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone is O=C(c1ccc2nc(-c3cnn(-c4cccc(F)c4)c3)[nH]c2c1)N1CCOCC1.
What is the InChIKey of [2-[1-(3-fluorophenyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is IWFJNVJTGLXCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c22-16-2-1-3-17(11-16)27-13-15(12-23-27)20-24-18-5-4-14(10-19(18)25-20)21(28)26-6-8-29-9-7-26/h1-5,10-13H,6-9H2,(H,24,25).
What are the key properties of [2-[1-(3-fluorophenyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone?
[2-[1-(3-fluorophenyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 391.41 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3-fluorophenyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59784961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).