6-methoxy-1H-benzimidazole;4-methyl-1H-benzimidazole

C16H16N4O — CID 144655270

IUPAC6-methoxy-1H-benzimidazole;4-methyl-1H-benzimidazole
SMILESCOc1ccc2nc[nH]c2c1.Cc1cccc2[nH]cnc12
InChIInChI=1S/C8H8N2O.C8H8N2/c1-11-6-2-3-7-8(4-6)10-5-9-7;1-6-3-2-4-7-8(6)10-5-9-7/h2-5H,1H3,(H,9,10);2-5H,1H3,(H,9,10)
InChIKeyFCNNNQWDJNOELX-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.44
Rot. Bonds1

About 6-methoxy-1H-benzimidazole;4-methyl-1H-benzimidazole

6-methoxy-1H-benzimidazole;4-methyl-1H-benzimidazole (PubChem CID 144655270) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-methoxy-1H-benzimidazole;4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-1H-benzimidazole;4-methyl-1H-benzimidazole
PubChem CID144655270
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name6-methoxy-1H-benzimidazole;4-methyl-1H-benzimidazole
SMILESCOc1ccc2nc[nH]c2c1.Cc1cccc2[nH]cnc12
InChIInChI=1S/C8H8N2O.C8H8N2/c1-11-6-2-3-7-8(4-6)10-5-9-7;1-6-3-2-4-7-8(6)10-5-9-7/h2-5H,1H3,(H,9,10);2-5H,1H3,(H,9,10)
InChIKeyFCNNNQWDJNOELX-UHFFFAOYSA-N
XLogP3.44
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methoxyphenoxy)-1H-benzimidazole
CID 59279300
1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea
CID 108869161
6-(methoxymethoxy)-1H-benzimidazole
CID 141171013
N-[4-(2-methylphenoxy)phenyl]-3H-benzimidazol-5-amine
CID 166899759
2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126028
2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol
CID 137122842
6-[1-[2-(3-methoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole
CID 53378966
4-methoxy-5-methyl-1H-benzimidazole
CID 91306611
4-(3H-benzimidazol-5-yloxy)aniline
CID 18375963
6-(4-ethylphenoxy)-1H-benzimidazole
CID 143445574
N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide
CID 110869229
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CID 162631441

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1H-benzimidazole;4-methyl-1H-benzimidazole?
The IUPAC name of 6-methoxy-1H-benzimidazole;4-methyl-1H-benzimidazole (CID 144655270) is 6-methoxy-1H-benzimidazole;4-methyl-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-1H-benzimidazole;4-methyl-1H-benzimidazole?
The canonical SMILES for 6-methoxy-1H-benzimidazole;4-methyl-1H-benzimidazole is COc1ccc2nc[nH]c2c1.Cc1cccc2[nH]cnc12.
What is the InChIKey of 6-methoxy-1H-benzimidazole;4-methyl-1H-benzimidazole?
The InChIKey is FCNNNQWDJNOELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O.C8H8N2/c1-11-6-2-3-7-8(4-6)10-5-9-7;1-6-3-2-4-7-8(6)10-5-9-7/h2-5H,1H3,(H,9,10);2-5H,1H3,(H,9,10).
What are the key properties of 6-methoxy-1H-benzimidazole;4-methyl-1H-benzimidazole?
6-methoxy-1H-benzimidazole;4-methyl-1H-benzimidazole has a molecular weight of 280.33 g/mol, XLogP of 3.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1H-benzimidazole;4-methyl-1H-benzimidazole is sourced from PubChem (CID 144655270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).