1H-benzimidazol-2-yl-[3-[3-[4-(1-hydroxyethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone

C22H26N6O2 — CID 58546788

IUPAC1H-benzimidazol-2-yl-[3-[3-[4-(1-hydroxyethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone
SMILESCC(O)C1CCN(c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1
InChIInChI=1S/C22H26N6O2/c1-14(29)15-6-10-27(11-7-15)21-19(23-8-9-24-21)16-12-28(13-16)22(30)20-25-17-4-2-3-5-18(17)26-20/h2-5,8-9,14-16,29H,6-7,10-13H2,1H3,(H,25,26)
InChIKeyALVCBRSDERYQSN-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.19
Rot. Bonds4

About 1H-benzimidazol-2-yl-[3-[3-[4-(1-hydroxyethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone

1H-benzimidazol-2-yl-[3-[3-[4-(1-hydroxyethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone (PubChem CID 58546788) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[3-[4-(1-hydroxyethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-[3-[4-(1-hydroxyethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone
PubChem CID58546788
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name1H-benzimidazol-2-yl-[3-[3-[4-(1-hydroxyethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone
SMILESCC(O)C1CCN(c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1
InChIInChI=1S/C22H26N6O2/c1-14(29)15-6-10-27(11-7-15)21-19(23-8-9-24-21)16-12-28(13-16)22(30)20-25-17-4-2-3-5-18(17)26-20/h2-5,8-9,14-16,29H,6-7,10-13H2,1H3,(H,25,26)
InChIKeyALVCBRSDERYQSN-UHFFFAOYSA-N
XLogP2.19
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[3-[3-[4-(1-hydroxyethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-[3-[4-(1-hydroxyethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone (CID 58546788) is 1H-benzimidazol-2-yl-[3-[3-[4-(1-hydroxyethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[3-[4-(1-hydroxyethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-[3-[4-(1-hydroxyethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone is CC(O)C1CCN(c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-[3-[4-(1-hydroxyethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone?
The InChIKey is ALVCBRSDERYQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-14(29)15-6-10-27(11-7-15)21-19(23-8-9-24-21)16-12-28(13-16)22(30)20-25-17-4-2-3-5-18(17)26-20/h2-5,8-9,14-16,29H,6-7,10-13H2,1H3,(H,25,26).
What are the key properties of 1H-benzimidazol-2-yl-[3-[3-[4-(1-hydroxyethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-[3-[4-(1-hydroxyethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone has a molecular weight of 406.49 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[3-[3-[4-(1-hydroxyethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 58546788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).