2,2-dihexylbenzimidazole

C19H30N2 — CID 20537646

IUPAC2,2-dihexylbenzimidazole
SMILESCCCCCCC1(CCCCCC)N=c2ccccc2=N1
InChIInChI=1S/C19H30N2/c1-3-5-7-11-15-19(16-12-8-6-4-2)20-17-13-9-10-14-18(17)21-19/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
InChIKeyIOUDMJJZSFBMHM-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.58
Rot. Bonds10

About 2,2-dihexylbenzimidazole

2,2-dihexylbenzimidazole (PubChem CID 20537646) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2,2-dihexylbenzimidazole.

Molecular Properties

Compound Name2,2-dihexylbenzimidazole
PubChem CID20537646
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2,2-dihexylbenzimidazole
SMILESCCCCCCC1(CCCCCC)N=c2ccccc2=N1
InChIInChI=1S/C19H30N2/c1-3-5-7-11-15-19(16-12-8-6-4-2)20-17-13-9-10-14-18(17)21-19/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
InChIKeyIOUDMJJZSFBMHM-UHFFFAOYSA-N
XLogP4.58
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
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 2,2-dihexylbenzimidazole?
The IUPAC name of 2,2-dihexylbenzimidazole (CID 20537646) is 2,2-dihexylbenzimidazole.
What is the SMILES notation for 2,2-dihexylbenzimidazole?
The canonical SMILES for 2,2-dihexylbenzimidazole is CCCCCCC1(CCCCCC)N=c2ccccc2=N1.
What is the InChIKey of 2,2-dihexylbenzimidazole?
The InChIKey is IOUDMJJZSFBMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-5-7-11-15-19(16-12-8-6-4-2)20-17-13-9-10-14-18(17)21-19/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3.
What are the key properties of 2,2-dihexylbenzimidazole?
2,2-dihexylbenzimidazole has a molecular weight of 286.46 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihexylbenzimidazole is sourced from PubChem (CID 20537646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).