2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole

C23H24N2 — CID 139672369

IUPAC2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole
SMILESc1ccc2c(CCCCCCc3nc4ccccc4[nH]3)cccc2c1
InChIInChI=1S/C23H24N2/c1(2-4-17-23-24-21-15-7-8-16-22(21)25-23)3-10-18-12-9-13-19-11-5-6-14-20(18)19/h5-9,11-16H,1-4,10,17H2,(H,24,25)
InChIKeyRPGDHKMPJBNPQH-UHFFFAOYSA-N
MW328.46 g/mol
LogP6.06
Rot. Bonds7

About 2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole

2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole (PubChem CID 139672369) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole
PubChem CID139672369
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole
SMILESc1ccc2c(CCCCCCc3nc4ccccc4[nH]3)cccc2c1
InChIInChI=1S/C23H24N2/c1(2-4-17-23-24-21-15-7-8-16-22(21)25-23)3-10-18-12-9-13-19-11-5-6-14-20(18)19/h5-9,11-16H,1-4,10,17H2,(H,24,25)
InChIKeyRPGDHKMPJBNPQH-UHFFFAOYSA-N
XLogP6.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780
2-docosyl-1H-benzimidazole
CID 141189761
2-[3-[3-(1H-benzimidazol-2-yl)propyldisulfanyl]propyl]-1H-benzimidazole
CID 14761294
3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane
CID 70659054
CID 87640795
CID 87640795
2-[3-(1H-indol-2-yl)propyl]-1H-benzimidazole
CID 54246993
4-(1H-benzimidazol-2-yl)butanenitrile
CID 12683083
2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole
CID 3094288
2-[5-(1H-benzimidazol-2-yl)pentylsulfanyl]-1H-benzimidazole
CID 20685286
4-benzyl-5-methyl-2-(5-naphthalen-1-ylpentyl)-1H-imidazole
CID 139695481
O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine
CID 142734516

Frequently Asked Questions

What is the IUPAC name of 2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole?
The IUPAC name of 2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole (CID 139672369) is 2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole.
What is the SMILES notation for 2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole?
The canonical SMILES for 2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole is c1ccc2c(CCCCCCc3nc4ccccc4[nH]3)cccc2c1.
What is the InChIKey of 2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole?
The InChIKey is RPGDHKMPJBNPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1(2-4-17-23-24-21-15-7-8-16-22(21)25-23)3-10-18-12-9-13-19-11-5-6-14-20(18)19/h5-9,11-16H,1-4,10,17H2,(H,24,25).
What are the key properties of 2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole?
2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole has a molecular weight of 328.46 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole is sourced from PubChem (CID 139672369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).