3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one

C21H23FN6O — CID 14823436

IUPAC3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCN1CCN(c2n[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C21H23FN6O/c22-15-6-7-16-18(14-15)24-25-20(16)27-12-10-26(11-13-27)8-3-9-28-19-5-2-1-4-17(19)23-21(28)29/h1-2,4-7,14H,3,8-13H2,(H,23,29)(H,24,25)
InChIKeyWLQSMLQXWNWIMU-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.56
Rot. Bonds5

About 3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one

3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one (PubChem CID 14823436) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one
PubChem CID14823436
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC Name3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCN1CCN(c2n[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C21H23FN6O/c22-15-6-7-16-18(14-15)24-25-20(16)27-12-10-26(11-13-27)8-3-9-28-19-5-2-1-4-17(19)23-21(28)29/h1-2,4-7,14H,3,8-13H2,(H,23,29)(H,24,25)
InChIKeyWLQSMLQXWNWIMU-UHFFFAOYSA-N
XLogP2.56
TPSA72.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one (CID 14823436) is 3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCCN1CCN(c2n[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one?
The InChIKey is WLQSMLQXWNWIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O/c22-15-6-7-16-18(14-15)24-25-20(16)27-12-10-26(11-13-27)8-3-9-28-19-5-2-1-4-17(19)23-21(28)29/h1-2,4-7,14H,3,8-13H2,(H,23,29)(H,24,25).
What are the key properties of 3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one?
3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one has a molecular weight of 394.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 14823436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).