2-benzyl-1-hexadecylbenzimidazole

C30H44N2 — CID 4627397

IUPAC2-benzyl-1-hexadecylbenzimidazole
SMILESCCCCCCCCCCCCCCCCn1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C30H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-32-29-24-19-18-23-28(29)31-30(32)26-27-21-16-15-17-22-27/h15-19,21-24H,2-14,20,25-26H2,1H3
InChIKeyJHVVZCQGPIXHFJ-UHFFFAOYSA-N
MW432.70 g/mol
LogP9.11
Rot. Bonds17

About 2-benzyl-1-hexadecylbenzimidazole

2-benzyl-1-hexadecylbenzimidazole (PubChem CID 4627397) has the molecular formula C30H44N2 and a molecular weight of 432.70 g/mol. Its IUPAC name is 2-benzyl-1-hexadecylbenzimidazole.

Molecular Properties

Compound Name2-benzyl-1-hexadecylbenzimidazole
PubChem CID4627397
Molecular FormulaC30H44N2
Molecular Weight432.70 g/mol
Exact Mass432.35
IUPAC Name2-benzyl-1-hexadecylbenzimidazole
SMILESCCCCCCCCCCCCCCCCn1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C30H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-32-29-24-19-18-23-28(29)31-30(32)26-27-21-16-15-17-22-27/h15-19,21-24H,2-14,20,25-26H2,1H3
InChIKeyJHVVZCQGPIXHFJ-UHFFFAOYSA-N
XLogP9.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.70
LogP ≤ 59.11
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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Related Compounds

2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole
CID 18878400
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
2-[(3,4-dimethoxyphenyl)methyl]-1-octadecylbenzimidazole
CID 18878488
2-[(3,4-dimethoxyphenyl)methyl]-1-octylbenzimidazole
CID 18878494
1-dodecyl-2-(methoxymethyl)benzimidazole
CID 16996870
2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole
CID 18879081
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol
CID 177375660
1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998310
2-benzyl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 16995610

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-hexadecylbenzimidazole?
The IUPAC name of 2-benzyl-1-hexadecylbenzimidazole (CID 4627397) is 2-benzyl-1-hexadecylbenzimidazole.
What is the SMILES notation for 2-benzyl-1-hexadecylbenzimidazole?
The canonical SMILES for 2-benzyl-1-hexadecylbenzimidazole is CCCCCCCCCCCCCCCCn1c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-benzyl-1-hexadecylbenzimidazole?
The InChIKey is JHVVZCQGPIXHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-32-29-24-19-18-23-28(29)31-30(32)26-27-21-16-15-17-22-27/h15-19,21-24H,2-14,20,25-26H2,1H3.
What are the key properties of 2-benzyl-1-hexadecylbenzimidazole?
2-benzyl-1-hexadecylbenzimidazole has a molecular weight of 432.70 g/mol, XLogP of 9.11, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-hexadecylbenzimidazole is sourced from PubChem (CID 4627397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).