4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole

C14H20N2O — CID 164713848

IUPAC4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole
SMILESCOc1cc(C(C)C)cc2[nH]c(C(C)C)nc12
InChIInChI=1S/C14H20N2O/c1-8(2)10-6-11-13(12(7-10)17-5)16-14(15-11)9(3)4/h6-9H,1-5H3,(H,15,16)
InChIKeyDWNMUMCCJGGUNE-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.82
Rot. Bonds3

About 4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole

4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole (PubChem CID 164713848) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole
PubChem CID164713848
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole
SMILESCOc1cc(C(C)C)cc2[nH]c(C(C)C)nc12
InChIInChI=1S/C14H20N2O/c1-8(2)10-6-11-13(12(7-10)17-5)16-14(15-11)9(3)4/h6-9H,1-5H3,(H,15,16)
InChIKeyDWNMUMCCJGGUNE-UHFFFAOYSA-N
XLogP3.82
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole?
The IUPAC name of 4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole (CID 164713848) is 4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole.
What is the SMILES notation for 4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole?
The canonical SMILES for 4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole is COc1cc(C(C)C)cc2[nH]c(C(C)C)nc12.
What is the InChIKey of 4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole?
The InChIKey is DWNMUMCCJGGUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-8(2)10-6-11-13(12(7-10)17-5)16-14(15-11)9(3)4/h6-9H,1-5H3,(H,15,16).
What are the key properties of 4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole?
4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole has a molecular weight of 232.33 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole is sourced from PubChem (CID 164713848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).