1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone

C23H21N5O2 — CID 59351366

IUPAC1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2N2CCCCC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H21N5O2/c29-20(21-26-18-6-2-3-7-19(18)27-21)16-8-10-17(11-9-16)30-23-22(24-12-13-25-23)28-14-4-1-5-15-28/h2-3,6-13H,1,4-5,14-15H2,(H,26,27)
InChIKeyYZVPBDASJFHUAL-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.37
Rot. Bonds5

About 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone

1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone (PubChem CID 59351366) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone
PubChem CID59351366
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2N2CCCCC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H21N5O2/c29-20(21-26-18-6-2-3-7-19(18)27-21)16-8-10-17(11-9-16)30-23-22(24-12-13-25-23)28-14-4-1-5-15-28/h2-3,6-13H,1,4-5,14-15H2,(H,26,27)
InChIKeyYZVPBDASJFHUAL-UHFFFAOYSA-N
XLogP4.37
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone (CID 59351366) is 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone is O=C(c1ccc(Oc2nccnc2N2CCCCC2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone?
The InChIKey is YZVPBDASJFHUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-20(21-26-18-6-2-3-7-19(18)27-21)16-8-10-17(11-9-16)30-23-22(24-12-13-25-23)28-14-4-1-5-15-28/h2-3,6-13H,1,4-5,14-15H2,(H,26,27).
What are the key properties of 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone?
1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone has a molecular weight of 399.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone is sourced from PubChem (CID 59351366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).