2-methyl-4-pentoxy-1H-benzimidazole

C13H18N2O — CID 90997135

IUPAC2-methyl-4-pentoxy-1H-benzimidazole
SMILESCCCCCOc1cccc2[nH]c(C)nc12
InChIInChI=1S/C13H18N2O/c1-3-4-5-9-16-12-8-6-7-11-13(12)15-10(2)14-11/h6-8H,3-5,9H2,1-2H3,(H,14,15)
InChIKeyUWRNQGRBKXWROW-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.44
Rot. Bonds5

About 2-methyl-4-pentoxy-1H-benzimidazole

2-methyl-4-pentoxy-1H-benzimidazole (PubChem CID 90997135) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methyl-4-pentoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-4-pentoxy-1H-benzimidazole
PubChem CID90997135
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-methyl-4-pentoxy-1H-benzimidazole
SMILESCCCCCOc1cccc2[nH]c(C)nc12
InChIInChI=1S/C13H18N2O/c1-3-4-5-9-16-12-8-6-7-11-13(12)15-10(2)14-11/h6-8H,3-5,9H2,1-2H3,(H,14,15)
InChIKeyUWRNQGRBKXWROW-UHFFFAOYSA-N
XLogP3.44
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.44
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

2-fluoro-1-hexoxy-3-methylbenzene
CID 107662011
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
4-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole
CID 84671561
4-hexoxy-1,3-benzothiazole
CID 54068927
(4-decoxy-1,3-benzothiazol-2-yl)hydrazine
CID 154476426
2,6-diheptoxyphenol
CID 57426104
1-methyl-2-pentadecoxybenzene
CID 154641785
1-(2-octoxyphenyl)-9H-carbazole
CID 174629986
2,6-di(nonoxy)phenol
CID 22024876
1-dodecoxy-2,3-difluorobenzene
CID 15854521
3-tetradecoxybenzene-1,2-diol
CID 152769078

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pentoxy-1H-benzimidazole?
The IUPAC name of 2-methyl-4-pentoxy-1H-benzimidazole (CID 90997135) is 2-methyl-4-pentoxy-1H-benzimidazole.
What is the SMILES notation for 2-methyl-4-pentoxy-1H-benzimidazole?
The canonical SMILES for 2-methyl-4-pentoxy-1H-benzimidazole is CCCCCOc1cccc2[nH]c(C)nc12.
What is the InChIKey of 2-methyl-4-pentoxy-1H-benzimidazole?
The InChIKey is UWRNQGRBKXWROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-4-5-9-16-12-8-6-7-11-13(12)15-10(2)14-11/h6-8H,3-5,9H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-4-pentoxy-1H-benzimidazole?
2-methyl-4-pentoxy-1H-benzimidazole has a molecular weight of 218.30 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pentoxy-1H-benzimidazole is sourced from PubChem (CID 90997135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).