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

C22H19N5O2 — CID 58546756

IUPAC1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2-c2ccc(CO)cc2)C1
InChIInChI=1S/C22H19N5O2/c28-13-14-5-7-15(8-6-14)19-20(24-10-9-23-19)16-11-27(12-16)22(29)21-25-17-3-1-2-4-18(17)26-21/h1-10,16,28H,11-13H2,(H,25,26)
InChIKeyCNJOIPAXRCCSCV-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.75
Rot. Bonds4

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

1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone (PubChem CID 58546756) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone
PubChem CID58546756
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2-c2ccc(CO)cc2)C1
InChIInChI=1S/C22H19N5O2/c28-13-14-5-7-15(8-6-14)19-20(24-10-9-23-19)16-11-27(12-16)22(29)21-25-17-3-1-2-4-18(17)26-21/h1-10,16,28H,11-13H2,(H,25,26)
InChIKeyCNJOIPAXRCCSCV-UHFFFAOYSA-N
XLogP2.75
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone (CID 58546756) is 1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2-c2ccc(CO)cc2)C1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone?
The InChIKey is CNJOIPAXRCCSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c28-13-14-5-7-15(8-6-14)19-20(24-10-9-23-19)16-11-27(12-16)22(29)21-25-17-3-1-2-4-18(17)26-21/h1-10,16,28H,11-13H2,(H,25,26).
What are the key properties of 1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone has a molecular weight of 385.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 58546756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).