6-(6-chloropyrimidin-4-yl)oxy-4-methyl-2-(oxan-4-yl)-1H-benzimidazole

C17H17ClN4O2 — CID 86663926

IUPAC6-(6-chloropyrimidin-4-yl)oxy-4-methyl-2-(oxan-4-yl)-1H-benzimidazole
SMILESCc1cc(Oc2cc(Cl)ncn2)cc2[nH]c(C3CCOCC3)nc12
InChIInChI=1S/C17H17ClN4O2/c1-10-6-12(24-15-8-14(18)19-9-20-15)7-13-16(10)22-17(21-13)11-2-4-23-5-3-11/h6-9,11H,2-5H2,1H3,(H,21,22)
InChIKeyFOPAEPRBVNLAMH-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.00
Rot. Bonds3

About 6-(6-chloropyrimidin-4-yl)oxy-4-methyl-2-(oxan-4-yl)-1H-benzimidazole

6-(6-chloropyrimidin-4-yl)oxy-4-methyl-2-(oxan-4-yl)-1H-benzimidazole (PubChem CID 86663926) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 6-(6-chloropyrimidin-4-yl)oxy-4-methyl-2-(oxan-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(6-chloropyrimidin-4-yl)oxy-4-methyl-2-(oxan-4-yl)-1H-benzimidazole
PubChem CID86663926
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name6-(6-chloropyrimidin-4-yl)oxy-4-methyl-2-(oxan-4-yl)-1H-benzimidazole
SMILESCc1cc(Oc2cc(Cl)ncn2)cc2[nH]c(C3CCOCC3)nc12
InChIInChI=1S/C17H17ClN4O2/c1-10-6-12(24-15-8-14(18)19-9-20-15)7-13-16(10)22-17(21-13)11-2-4-23-5-3-11/h6-9,11H,2-5H2,1H3,(H,21,22)
InChIKeyFOPAEPRBVNLAMH-UHFFFAOYSA-N
XLogP4.00
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloropyrimidin-4-yl)oxy-4-methyl-2-(oxan-4-yl)-1H-benzimidazole?
The IUPAC name of 6-(6-chloropyrimidin-4-yl)oxy-4-methyl-2-(oxan-4-yl)-1H-benzimidazole (CID 86663926) is 6-(6-chloropyrimidin-4-yl)oxy-4-methyl-2-(oxan-4-yl)-1H-benzimidazole.
What is the SMILES notation for 6-(6-chloropyrimidin-4-yl)oxy-4-methyl-2-(oxan-4-yl)-1H-benzimidazole?
The canonical SMILES for 6-(6-chloropyrimidin-4-yl)oxy-4-methyl-2-(oxan-4-yl)-1H-benzimidazole is Cc1cc(Oc2cc(Cl)ncn2)cc2[nH]c(C3CCOCC3)nc12.
What is the InChIKey of 6-(6-chloropyrimidin-4-yl)oxy-4-methyl-2-(oxan-4-yl)-1H-benzimidazole?
The InChIKey is FOPAEPRBVNLAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-10-6-12(24-15-8-14(18)19-9-20-15)7-13-16(10)22-17(21-13)11-2-4-23-5-3-11/h6-9,11H,2-5H2,1H3,(H,21,22).
What are the key properties of 6-(6-chloropyrimidin-4-yl)oxy-4-methyl-2-(oxan-4-yl)-1H-benzimidazole?
6-(6-chloropyrimidin-4-yl)oxy-4-methyl-2-(oxan-4-yl)-1H-benzimidazole has a molecular weight of 344.80 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloropyrimidin-4-yl)oxy-4-methyl-2-(oxan-4-yl)-1H-benzimidazole is sourced from PubChem (CID 86663926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).