2-(pentoxymethyl)-1H-benzimidazole

C13H18N2O — CID 139950764

IUPAC2-(pentoxymethyl)-1H-benzimidazole
SMILESCCCCCOCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N2O/c1-2-3-6-9-16-10-13-14-11-7-4-5-8-12(11)15-13/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,14,15)
InChIKeyNNQACTHAYWOKKZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.27
Rot. Bonds6

About 2-(pentoxymethyl)-1H-benzimidazole

2-(pentoxymethyl)-1H-benzimidazole (PubChem CID 139950764) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(pentoxymethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(pentoxymethyl)-1H-benzimidazole
PubChem CID139950764
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(pentoxymethyl)-1H-benzimidazole
SMILESCCCCCOCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N2O/c1-2-3-6-9-16-10-13-14-11-7-4-5-8-12(11)15-13/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,14,15)
InChIKeyNNQACTHAYWOKKZ-UHFFFAOYSA-N
XLogP3.27
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.27
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-docosyl-1H-benzimidazole
CID 141189761
1H-benzimidazol-2-ylmethyl carbamate;dodecyl benzenesulfonate
CID 158692974
N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874
2-(2-decylsulfanylethyl)-1H-benzimidazole
CID 139610484
2-heptadecyl-1H-benzimidazole;sulfuric acid
CID 70491996
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
2-(dodecoxymethyl)quinoline
CID 14754989
1H-benzimidazol-2-ylmethyl propanoate
CID 20738516
N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
CID 83961810
2-hexadecan-7-yl-1H-benzimidazole
CID 54269360
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
2-(nonoxymethyl)-1H-imidazole
CID 131844206

Frequently Asked Questions

What is the IUPAC name of 2-(pentoxymethyl)-1H-benzimidazole?
The IUPAC name of 2-(pentoxymethyl)-1H-benzimidazole (CID 139950764) is 2-(pentoxymethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(pentoxymethyl)-1H-benzimidazole?
The canonical SMILES for 2-(pentoxymethyl)-1H-benzimidazole is CCCCCOCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(pentoxymethyl)-1H-benzimidazole?
The InChIKey is NNQACTHAYWOKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-3-6-9-16-10-13-14-11-7-4-5-8-12(11)15-13/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,14,15).
What are the key properties of 2-(pentoxymethyl)-1H-benzimidazole?
2-(pentoxymethyl)-1H-benzimidazole has a molecular weight of 218.30 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentoxymethyl)-1H-benzimidazole is sourced from PubChem (CID 139950764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).