(4-chloro-1H-benzimidazol-2-yl)-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]methanone

C20H15ClN6O — CID 58546884

IUPAC(4-chloro-1H-benzimidazol-2-yl)-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]methanone
SMILESO=C(c1nc2c(Cl)cccc2[nH]1)N1CC(c2nccnc2-c2cccnc2)C1
InChIInChI=1S/C20H15ClN6O/c21-14-4-1-5-15-18(14)26-19(25-15)20(28)27-10-13(11-27)17-16(23-7-8-24-17)12-3-2-6-22-9-12/h1-9,13H,10-11H2,(H,25,26)
InChIKeyYRTJUFPNLVAYMT-UHFFFAOYSA-N
MW390.83 g/mol
LogP3.31
Rot. Bonds3

About (4-chloro-1H-benzimidazol-2-yl)-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]methanone

(4-chloro-1H-benzimidazol-2-yl)-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]methanone (PubChem CID 58546884) has the molecular formula C20H15ClN6O and a molecular weight of 390.83 g/mol. Its IUPAC name is (4-chloro-1H-benzimidazol-2-yl)-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-benzimidazol-2-yl)-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]methanone
PubChem CID58546884
Molecular FormulaC20H15ClN6O
Molecular Weight390.83 g/mol
Exact Mass390.10
IUPAC Name(4-chloro-1H-benzimidazol-2-yl)-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]methanone
SMILESO=C(c1nc2c(Cl)cccc2[nH]1)N1CC(c2nccnc2-c2cccnc2)C1
InChIInChI=1S/C20H15ClN6O/c21-14-4-1-5-15-18(14)26-19(25-15)20(28)27-10-13(11-27)17-16(23-7-8-24-17)12-3-2-6-22-9-12/h1-9,13H,10-11H2,(H,25,26)
InChIKeyYRTJUFPNLVAYMT-UHFFFAOYSA-N
XLogP3.31
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-benzimidazol-2-yl)-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]methanone?
The IUPAC name of (4-chloro-1H-benzimidazol-2-yl)-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]methanone (CID 58546884) is (4-chloro-1H-benzimidazol-2-yl)-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1H-benzimidazol-2-yl)-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1H-benzimidazol-2-yl)-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]methanone is O=C(c1nc2c(Cl)cccc2[nH]1)N1CC(c2nccnc2-c2cccnc2)C1.
What is the InChIKey of (4-chloro-1H-benzimidazol-2-yl)-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]methanone?
The InChIKey is YRTJUFPNLVAYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN6O/c21-14-4-1-5-15-18(14)26-19(25-15)20(28)27-10-13(11-27)17-16(23-7-8-24-17)12-3-2-6-22-9-12/h1-9,13H,10-11H2,(H,25,26).
What are the key properties of (4-chloro-1H-benzimidazol-2-yl)-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]methanone?
(4-chloro-1H-benzimidazol-2-yl)-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]methanone has a molecular weight of 390.83 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-benzimidazol-2-yl)-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 58546884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).