1-(5-chloropyrimidin-4-yl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]benzimidazole

C20H18ClN5O2 — CID 138570407

IUPAC1-(5-chloropyrimidin-4-yl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]benzimidazole
SMILESCOc1c(C)cnc(COc2nc3ccccc3n2-c2ncncc2Cl)c1C
InChIInChI=1S/C20H18ClN5O2/c1-12-8-23-16(13(2)18(12)27-3)10-28-20-25-15-6-4-5-7-17(15)26(20)19-14(21)9-22-11-24-19/h4-9,11H,10H2,1-3H3
InChIKeyOMPDPOCEPOKPQA-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.07
Rot. Bonds5

About 1-(5-chloropyrimidin-4-yl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]benzimidazole

1-(5-chloropyrimidin-4-yl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]benzimidazole (PubChem CID 138570407) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 1-(5-chloropyrimidin-4-yl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]benzimidazole.

Molecular Properties

Compound Name1-(5-chloropyrimidin-4-yl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]benzimidazole
PubChem CID138570407
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name1-(5-chloropyrimidin-4-yl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]benzimidazole
SMILESCOc1c(C)cnc(COc2nc3ccccc3n2-c2ncncc2Cl)c1C
InChIInChI=1S/C20H18ClN5O2/c1-12-8-23-16(13(2)18(12)27-3)10-28-20-25-15-6-4-5-7-17(15)26(20)19-14(21)9-22-11-24-19/h4-9,11H,10H2,1-3H3
InChIKeyOMPDPOCEPOKPQA-UHFFFAOYSA-N
XLogP4.07
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropyrimidin-4-yl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]benzimidazole?
The IUPAC name of 1-(5-chloropyrimidin-4-yl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]benzimidazole (CID 138570407) is 1-(5-chloropyrimidin-4-yl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]benzimidazole.
What is the SMILES notation for 1-(5-chloropyrimidin-4-yl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]benzimidazole?
The canonical SMILES for 1-(5-chloropyrimidin-4-yl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]benzimidazole is COc1c(C)cnc(COc2nc3ccccc3n2-c2ncncc2Cl)c1C.
What is the InChIKey of 1-(5-chloropyrimidin-4-yl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]benzimidazole?
The InChIKey is OMPDPOCEPOKPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-12-8-23-16(13(2)18(12)27-3)10-28-20-25-15-6-4-5-7-17(15)26(20)19-14(21)9-22-11-24-19/h4-9,11H,10H2,1-3H3.
What are the key properties of 1-(5-chloropyrimidin-4-yl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]benzimidazole?
1-(5-chloropyrimidin-4-yl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]benzimidazole has a molecular weight of 395.85 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropyrimidin-4-yl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]benzimidazole is sourced from PubChem (CID 138570407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).