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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole
CID 164713884
8-methoxy-6-propan-2-ylquinazoline
CID 159245252
1-(4-methoxy-1H-benzimidazol-2-yl)ethanethiol
CID 166986048
CID 162266881
CID 162266881
7-fluoro-2-propan-2-yl-3H-benzimidazol-5-amine
CID 83698211
(1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol
CID 66264286
2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole
CID 177451746
3-(5,6-dimethoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 113416030
1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 82336590
6-chloro-4-methoxy-2-methyl-1H-benzimidazole
CID 118993823
4-bromo-2,5-di(propan-2-yl)-1H-benzimidazole;4-bromo-2,6-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,5-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole;4-fluoro-2,5-di(propan-2-yl)-1H-benzimidazole;4-fluoro-2,6-di(propan-2-yl)-1H-benzimidazole;4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole;pentakis(6-methyl-2,5-di(propan-2-yl)-1H-benzimidazole)
CID 165093379
6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid
CID 84683704

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).