2-tert-butyl-1-pentylbenzimidazole

C16H24N2 — CID 17000368

IUPAC2-tert-butyl-1-pentylbenzimidazole
SMILESCCCCCn1c(C(C)(C)C)nc2ccccc21
InChIInChI=1S/C16H24N2/c1-5-6-9-12-18-14-11-8-7-10-13(14)17-15(18)16(2,3)4/h7-8,10-11H,5-6,9,12H2,1-4H3
InChIKeyIUJKOOKXDIBPGY-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.52
Rot. Bonds4

About 2-tert-butyl-1-pentylbenzimidazole

2-tert-butyl-1-pentylbenzimidazole (PubChem CID 17000368) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-tert-butyl-1-pentylbenzimidazole.

Molecular Properties

Compound Name2-tert-butyl-1-pentylbenzimidazole
PubChem CID17000368
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-tert-butyl-1-pentylbenzimidazole
SMILESCCCCCn1c(C(C)(C)C)nc2ccccc21
InChIInChI=1S/C16H24N2/c1-5-6-9-12-18-14-11-8-7-10-13(14)17-15(18)16(2,3)4/h7-8,10-11H,5-6,9,12H2,1-4H3
InChIKeyIUJKOOKXDIBPGY-UHFFFAOYSA-N
XLogP4.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-1-pentylbenzimidazole 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

4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine
CID 82144558
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789
2-(4-tert-butylphenyl)-1-pentylbenzimidazole
CID 84571437
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
4,5-dibromo-1-pentyl-2-[2-(1-pentylbenzimidazol-2-yl)propan-2-yl]benzimidazole
CID 161458758
2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556
1-hexyl-2-[6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;iron(2+);dichloride
CID 70011887
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-methylsulfanyl-1-pentylbenzimidazole
CID 112774737
2-heptyl-1-nonylbenzimidazole
CID 139787766
1-dodecyl-2-(2-methylphenyl)benzimidazole
CID 17000610

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-pentylbenzimidazole?
The IUPAC name of 2-tert-butyl-1-pentylbenzimidazole (CID 17000368) is 2-tert-butyl-1-pentylbenzimidazole.
What is the SMILES notation for 2-tert-butyl-1-pentylbenzimidazole?
The canonical SMILES for 2-tert-butyl-1-pentylbenzimidazole is CCCCCn1c(C(C)(C)C)nc2ccccc21.
What is the InChIKey of 2-tert-butyl-1-pentylbenzimidazole?
The InChIKey is IUJKOOKXDIBPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-5-6-9-12-18-14-11-8-7-10-13(14)17-15(18)16(2,3)4/h7-8,10-11H,5-6,9,12H2,1-4H3.
What are the key properties of 2-tert-butyl-1-pentylbenzimidazole?
2-tert-butyl-1-pentylbenzimidazole has a molecular weight of 244.38 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-pentylbenzimidazole is sourced from PubChem (CID 17000368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).