1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone

C23H21N5O3 — CID 46208072

IUPAC1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2N2CCC(O)CC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H21N5O3/c29-16-9-13-28(14-10-16)22-23(25-12-11-24-22)31-17-7-5-15(6-8-17)20(30)21-26-18-3-1-2-4-19(18)27-21/h1-8,11-12,16,29H,9-10,13-14H2,(H,26,27)
InChIKeyMSLMVJKRPSMSRP-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.34
Rot. Bonds5

About 1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone

1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone (PubChem CID 46208072) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone
PubChem CID46208072
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2N2CCC(O)CC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H21N5O3/c29-16-9-13-28(14-10-16)22-23(25-12-11-24-22)31-17-7-5-15(6-8-17)20(30)21-26-18-3-1-2-4-19(18)27-21/h1-8,11-12,16,29H,9-10,13-14H2,(H,26,27)
InChIKeyMSLMVJKRPSMSRP-UHFFFAOYSA-N
XLogP3.34
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone (CID 46208072) is 1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone is O=C(c1ccc(Oc2nccnc2N2CCC(O)CC2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone?
The InChIKey is MSLMVJKRPSMSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c29-16-9-13-28(14-10-16)22-23(25-12-11-24-22)31-17-7-5-15(6-8-17)20(30)21-26-18-3-1-2-4-19(18)27-21/h1-8,11-12,16,29H,9-10,13-14H2,(H,26,27).
What are the key properties of 1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone?
1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone has a molecular weight of 415.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone is sourced from PubChem (CID 46208072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).