6-fluoro-2-undecyl-1H-benzimidazole

C18H27FN2 — CID 65428080

IUPAC6-fluoro-2-undecyl-1H-benzimidazole
SMILESCCCCCCCCCCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H27FN2/c1-2-3-4-5-6-7-8-9-10-11-18-20-16-13-12-15(19)14-17(16)21-18/h12-14H,2-11H2,1H3,(H,20,21)
InChIKeyOETAFCKVQBASBH-UHFFFAOYSA-N
MW290.43 g/mol
LogP5.78
Rot. Bonds10

About 6-fluoro-2-undecyl-1H-benzimidazole

6-fluoro-2-undecyl-1H-benzimidazole (PubChem CID 65428080) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 6-fluoro-2-undecyl-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-undecyl-1H-benzimidazole
PubChem CID65428080
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name6-fluoro-2-undecyl-1H-benzimidazole
SMILESCCCCCCCCCCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H27FN2/c1-2-3-4-5-6-7-8-9-10-11-18-20-16-13-12-15(19)14-17(16)21-18/h12-14H,2-11H2,1H3,(H,20,21)
InChIKeyOETAFCKVQBASBH-UHFFFAOYSA-N
XLogP5.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.43
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-fluoro-2-undecyl-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-difluoro-2-nonyl-1H-benzimidazole
CID 65427108
N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
6-ethoxy-2-heptadecyl-1H-benzimidazole
CID 71336716
2-heptyl-3H-benzimidazole-5-carbonitrile
CID 79004327
2-docosyl-1H-benzimidazole
CID 141189761
1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
CID 131930499
2-butyl-3H-benzimidazol-5-amine
CID 23301932

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-undecyl-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-undecyl-1H-benzimidazole (CID 65428080) is 6-fluoro-2-undecyl-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-undecyl-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-undecyl-1H-benzimidazole is CCCCCCCCCCCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-2-undecyl-1H-benzimidazole?
The InChIKey is OETAFCKVQBASBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-2-3-4-5-6-7-8-9-10-11-18-20-16-13-12-15(19)14-17(16)21-18/h12-14H,2-11H2,1H3,(H,20,21).
What are the key properties of 6-fluoro-2-undecyl-1H-benzimidazole?
6-fluoro-2-undecyl-1H-benzimidazole has a molecular weight of 290.43 g/mol, XLogP of 5.78, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-undecyl-1H-benzimidazole is sourced from PubChem (CID 65428080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).