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

C21H24N6O2 — CID 54675309

IUPAC1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2N2CCC(CO)CC2)C1
InChIInChI=1S/C21H24N6O2/c28-13-14-5-9-26(10-6-14)20-18(22-7-8-23-20)15-11-27(12-15)21(29)19-24-16-3-1-2-4-17(16)25-19/h1-4,7-8,14-15,28H,5-6,9-13H2,(H,24,25)
InChIKeyJZIWHMHRFMPJCN-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.80
Rot. Bonds4

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

1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone (PubChem CID 54675309) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone
PubChem CID54675309
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2N2CCC(CO)CC2)C1
InChIInChI=1S/C21H24N6O2/c28-13-14-5-9-26(10-6-14)20-18(22-7-8-23-20)15-11-27(12-15)21(29)19-24-16-3-1-2-4-17(16)25-19/h1-4,7-8,14-15,28H,5-6,9-13H2,(H,24,25)
InChIKeyJZIWHMHRFMPJCN-UHFFFAOYSA-N
XLogP1.80
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone (CID 54675309) is 1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2N2CCC(CO)CC2)C1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone?
The InChIKey is JZIWHMHRFMPJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-13-14-5-9-26(10-6-14)20-18(22-7-8-23-20)15-11-27(12-15)21(29)19-24-16-3-1-2-4-17(16)25-19/h1-4,7-8,14-15,28H,5-6,9-13H2,(H,24,25).
What are the key properties of 1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone has a molecular weight of 392.46 g/mol, XLogP of 1.80, 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-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 54675309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).