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4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine

C19H22N4O2 — CID 153469808

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine
SMILESCc1cnccc1-c1nc2ccc(OCCN3CCOCC3)cc2[nH]1
InChIInChI=1S/C19H22N4O2/c1-14-13-20-5-4-16(14)19-21-17-3-2-15(12-18(17)22-19)25-11-8-23-6-9-24-10-7-23/h2-5,12-13H,6-11H2,1H3,(H,21,22)
InChIKeyRVNJCIAKMWCLDG-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.64
Rot. Bonds5

About 4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine

4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine (PubChem CID 153469808) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine
PubChem CID153469808
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine
SMILESCc1cnccc1-c1nc2ccc(OCCN3CCOCC3)cc2[nH]1
InChIInChI=1S/C19H22N4O2/c1-14-13-20-5-4-16(14)19-21-17-3-2-15(12-18(17)22-19)25-11-8-23-6-9-24-10-7-23/h2-5,12-13H,6-11H2,1H3,(H,21,22)
InChIKeyRVNJCIAKMWCLDG-UHFFFAOYSA-N
XLogP2.64
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine?
The IUPAC name of 4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine (CID 153469808) is 4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine is Cc1cnccc1-c1nc2ccc(OCCN3CCOCC3)cc2[nH]1.
What is the InChIKey of 4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine?
The InChIKey is RVNJCIAKMWCLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-13-20-5-4-16(14)19-21-17-3-2-15(12-18(17)22-19)25-11-8-23-6-9-24-10-7-23/h2-5,12-13H,6-11H2,1H3,(H,21,22).
What are the key properties of 4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine?
4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine has a molecular weight of 338.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine is sourced from PubChem (CID 153469808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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