6-chloro-2-[1-(3-piperidin-1-ylpyrazin-2-yl)azetidin-3-yl]-1H-benzimidazole

C19H21ClN6 — CID 54670983

IUPAC6-chloro-2-[1-(3-piperidin-1-ylpyrazin-2-yl)azetidin-3-yl]-1H-benzimidazole
SMILESClc1ccc2nc(C3CN(c4nccnc4N4CCCCC4)C3)[nH]c2c1
InChIInChI=1S/C19H21ClN6/c20-14-4-5-15-16(10-14)24-17(23-15)13-11-26(12-13)19-18(21-6-7-22-19)25-8-2-1-3-9-25/h4-7,10,13H,1-3,8-9,11-12H2,(H,23,24)
InChIKeyLMPSXXWNEBVGAS-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.60
Rot. Bonds3

About 6-chloro-2-[1-(3-piperidin-1-ylpyrazin-2-yl)azetidin-3-yl]-1H-benzimidazole

6-chloro-2-[1-(3-piperidin-1-ylpyrazin-2-yl)azetidin-3-yl]-1H-benzimidazole (PubChem CID 54670983) has the molecular formula C19H21ClN6 and a molecular weight of 368.87 g/mol. Its IUPAC name is 6-chloro-2-[1-(3-piperidin-1-ylpyrazin-2-yl)azetidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[1-(3-piperidin-1-ylpyrazin-2-yl)azetidin-3-yl]-1H-benzimidazole
PubChem CID54670983
Molecular FormulaC19H21ClN6
Molecular Weight368.87 g/mol
Exact Mass368.15
IUPAC Name6-chloro-2-[1-(3-piperidin-1-ylpyrazin-2-yl)azetidin-3-yl]-1H-benzimidazole
SMILESClc1ccc2nc(C3CN(c4nccnc4N4CCCCC4)C3)[nH]c2c1
InChIInChI=1S/C19H21ClN6/c20-14-4-5-15-16(10-14)24-17(23-15)13-11-26(12-13)19-18(21-6-7-22-19)25-8-2-1-3-9-25/h4-7,10,13H,1-3,8-9,11-12H2,(H,23,24)
InChIKeyLMPSXXWNEBVGAS-UHFFFAOYSA-N
XLogP3.60
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-(3-piperidin-1-ylpyrazin-2-yl)azetidin-3-yl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[1-(3-piperidin-1-ylpyrazin-2-yl)azetidin-3-yl]-1H-benzimidazole (CID 54670983) is 6-chloro-2-[1-(3-piperidin-1-ylpyrazin-2-yl)azetidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[1-(3-piperidin-1-ylpyrazin-2-yl)azetidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[1-(3-piperidin-1-ylpyrazin-2-yl)azetidin-3-yl]-1H-benzimidazole is Clc1ccc2nc(C3CN(c4nccnc4N4CCCCC4)C3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-[1-(3-piperidin-1-ylpyrazin-2-yl)azetidin-3-yl]-1H-benzimidazole?
The InChIKey is LMPSXXWNEBVGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6/c20-14-4-5-15-16(10-14)24-17(23-15)13-11-26(12-13)19-18(21-6-7-22-19)25-8-2-1-3-9-25/h4-7,10,13H,1-3,8-9,11-12H2,(H,23,24).
What are the key properties of 6-chloro-2-[1-(3-piperidin-1-ylpyrazin-2-yl)azetidin-3-yl]-1H-benzimidazole?
6-chloro-2-[1-(3-piperidin-1-ylpyrazin-2-yl)azetidin-3-yl]-1H-benzimidazole has a molecular weight of 368.87 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-(3-piperidin-1-ylpyrazin-2-yl)azetidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 54670983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).