2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole

C13H18N2O — CID 82946781

IUPAC2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole
SMILESCOCCCc1nc2c(C)cc(C)cc2[nH]1
InChIInChI=1S/C13H18N2O/c1-9-7-10(2)13-11(8-9)14-12(15-13)5-4-6-16-3/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeyQUYRPBPJDRGQJF-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.76
Rot. Bonds4

About 2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole

2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole (PubChem CID 82946781) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole
PubChem CID82946781
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole
SMILESCOCCCc1nc2c(C)cc(C)cc2[nH]1
InChIInChI=1S/C13H18N2O/c1-9-7-10(2)13-11(8-9)14-12(15-13)5-4-6-16-3/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeyQUYRPBPJDRGQJF-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole (CID 82946781) is 2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole is COCCCc1nc2c(C)cc(C)cc2[nH]1.
What is the InChIKey of 2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole?
The InChIKey is QUYRPBPJDRGQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-7-10(2)13-11(8-9)14-12(15-13)5-4-6-16-3/h7-8H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole?
2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole has a molecular weight of 218.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 82946781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).