2-heptadecyl-2H-benzimidazole

C24H40N2 — CID 173455392

IUPAC2-heptadecyl-2H-benzimidazole
SMILESCCCCCCCCCCCCCCCCCC1N=c2ccccc2=N1
InChIInChI=1S/C24H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-25-22-19-17-18-20-23(22)26-24/h17-20,24H,2-16,21H2,1H3
InChIKeyMVWJEKOJVIWTDG-UHFFFAOYSA-N
MW356.60 g/mol
LogP6.53
Rot. Bonds16

About 2-heptadecyl-2H-benzimidazole

2-heptadecyl-2H-benzimidazole (PubChem CID 173455392) has the molecular formula C24H40N2 and a molecular weight of 356.60 g/mol. Its IUPAC name is 2-heptadecyl-2H-benzimidazole.

Molecular Properties

Compound Name2-heptadecyl-2H-benzimidazole
PubChem CID173455392
Molecular FormulaC24H40N2
Molecular Weight356.60 g/mol
Exact Mass356.32
IUPAC Name2-heptadecyl-2H-benzimidazole
SMILESCCCCCCCCCCCCCCCCCC1N=c2ccccc2=N1
InChIInChI=1S/C24H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-25-22-19-17-18-20-23(22)26-24/h17-20,24H,2-16,21H2,1H3
InChIKeyMVWJEKOJVIWTDG-UHFFFAOYSA-N
XLogP6.53
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 56.53
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

Lanopylin B2
CID 11279421
5-Methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
CID 72781473
2-butyl-5-hepta-1,3-dienyl-3,4-dihydro-2H-pyrrole
CID 600717
Pyrroline, 5-butyl-2-[1,3-heptadienyl]-
CID 5374506
2,2-Dihexylbenzimidazole
CID 20537646
4-Butyl-2,2-dimethylbenzimidazole
CID 20537660
2-Undec-10-enylbenzimidazol-2-amine
CID 54358719
N-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine
CID 54535522
N-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine
CID 57009148
2-pentadecyl-2H-benzimidazole
CID 70397933
2-Pentyl-2-propylbenzimidazole
CID 71153002
2-Hexyl-2-methylbenzimidazole
CID 71153015

Frequently Asked Questions

What is the IUPAC name of 2-heptadecyl-2H-benzimidazole?
The IUPAC name of 2-heptadecyl-2H-benzimidazole (CID 173455392) is 2-heptadecyl-2H-benzimidazole.
What is the SMILES notation for 2-heptadecyl-2H-benzimidazole?
The canonical SMILES for 2-heptadecyl-2H-benzimidazole is CCCCCCCCCCCCCCCCCC1N=c2ccccc2=N1.
What is the InChIKey of 2-heptadecyl-2H-benzimidazole?
The InChIKey is MVWJEKOJVIWTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-25-22-19-17-18-20-23(22)26-24/h17-20,24H,2-16,21H2,1H3.
What are the key properties of 2-heptadecyl-2H-benzimidazole?
2-heptadecyl-2H-benzimidazole has a molecular weight of 356.60 g/mol, XLogP of 6.53, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptadecyl-2H-benzimidazole is sourced from PubChem (CID 173455392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).