6-methoxy-2-pentan-2-yl-1H-benzimidazole

C13H18N2O — CID 65017601

IUPAC6-methoxy-2-pentan-2-yl-1H-benzimidazole
SMILESCCCC(C)c1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C13H18N2O/c1-4-5-9(2)13-14-11-7-6-10(16-3)8-12(11)15-13/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyNPXCRPFDLJYWLJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.48
Rot. Bonds4

About 6-methoxy-2-pentan-2-yl-1H-benzimidazole

6-methoxy-2-pentan-2-yl-1H-benzimidazole (PubChem CID 65017601) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-methoxy-2-pentan-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-pentan-2-yl-1H-benzimidazole
PubChem CID65017601
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-methoxy-2-pentan-2-yl-1H-benzimidazole
SMILESCCCC(C)c1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C13H18N2O/c1-4-5-9(2)13-14-11-7-6-10(16-3)8-12(11)15-13/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyNPXCRPFDLJYWLJ-UHFFFAOYSA-N
XLogP3.48
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine
CID 65285979
2-pentan-2-yl-3H-benzimidazol-5-ol
CID 81431667
2-heptan-3-yl-6-methoxy-1H-benzimidazole
CID 65019207
2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
CID 65220884
(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 67626319
2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
CID 81078800
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 89433863
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175
2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol
CID 82336077
3-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]propanoic acid
CID 82336086
2-(1-chloroethyl)-6-ethoxy-1H-benzimidazole
CID 82331877
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-pentan-2-yl-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-pentan-2-yl-1H-benzimidazole (CID 65017601) is 6-methoxy-2-pentan-2-yl-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-pentan-2-yl-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-pentan-2-yl-1H-benzimidazole is CCCC(C)c1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of 6-methoxy-2-pentan-2-yl-1H-benzimidazole?
The InChIKey is NPXCRPFDLJYWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-5-9(2)13-14-11-7-6-10(16-3)8-12(11)15-13/h6-9H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 6-methoxy-2-pentan-2-yl-1H-benzimidazole?
6-methoxy-2-pentan-2-yl-1H-benzimidazole has a molecular weight of 218.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-pentan-2-yl-1H-benzimidazole is sourced from PubChem (CID 65017601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).