2-hexyl-6-methoxy-1H-benzimidazole

C14H20N2O — CID 114753150

IUPAC2-hexyl-6-methoxy-1H-benzimidazole
SMILESCCCCCCc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C14H20N2O/c1-3-4-5-6-7-14-15-12-9-8-11(17-2)10-13(12)16-14/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyYNBIEVINUAZWDY-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.69
Rot. Bonds6

About 2-hexyl-6-methoxy-1H-benzimidazole

2-hexyl-6-methoxy-1H-benzimidazole (PubChem CID 114753150) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-hexyl-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-hexyl-6-methoxy-1H-benzimidazole
PubChem CID114753150
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-hexyl-6-methoxy-1H-benzimidazole
SMILESCCCCCCc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C14H20N2O/c1-3-4-5-6-7-14-15-12-9-8-11(17-2)10-13(12)16-14/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyYNBIEVINUAZWDY-UHFFFAOYSA-N
XLogP3.69
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-2-heptadecyl-1H-benzimidazole
CID 71336716
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336889
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 65017857
2-heptyl-3H-benzimidazole-5-carbonitrile
CID 79004327
2-docosyl-1H-benzimidazole
CID 141189761
2-butyl-3H-benzimidazol-5-amine
CID 23301932
6-nitro-2-undecyl-1H-benzimidazole
CID 163965028
2-pentadecyl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 158269764

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-hexyl-6-methoxy-1H-benzimidazole (CID 114753150) is 2-hexyl-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-hexyl-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-hexyl-6-methoxy-1H-benzimidazole is CCCCCCc1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of 2-hexyl-6-methoxy-1H-benzimidazole?
The InChIKey is YNBIEVINUAZWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-4-5-6-7-14-15-12-9-8-11(17-2)10-13(12)16-14/h8-10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-hexyl-6-methoxy-1H-benzimidazole?
2-hexyl-6-methoxy-1H-benzimidazole has a molecular weight of 232.33 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 114753150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).