5-tert-butyl-2H-benzimidazole

C11H14N2 — CID 21303000

IUPAC5-tert-butyl-2H-benzimidazole
SMILESCC(C)(C)c1ccc2c(c1)=NCN=2
InChIInChI=1S/C11H14N2/c1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h4-6H,7H2,1-3H3
InChIKeyREFNPUGMCPPLLB-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.19
Rot. Bonds

About 5-tert-butyl-2H-benzimidazole

5-tert-butyl-2H-benzimidazole (PubChem CID 21303000) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 5-tert-butyl-2H-benzimidazole.

Molecular Properties

Compound Name5-tert-butyl-2H-benzimidazole
PubChem CID21303000
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name5-tert-butyl-2H-benzimidazole
SMILESCC(C)(C)c1ccc2c(c1)=NCN=2
InChIInChI=1S/C11H14N2/c1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h4-6H,7H2,1-3H3
InChIKeyREFNPUGMCPPLLB-UHFFFAOYSA-N
XLogP1.19
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-2H-benzimidazole
CID 11435022
2-Methylindol-2-ylium
CID 57054412
Trimethyl 2h indol
CID 101318478
5-fluoro-6-propan-2-yl-2H-benzimidazole
CID 118410732
2-(2-Fluoropropan-2-yl)-2-methylbenzimidazole
CID 173118008
4-Ethenyl-2,2-dimethylbenzimidazole
CID 20537676
2,2-Diethylbenzimidazole
CID 20537791
3-methyl-2H-indole
CID 20767131
4,7-dimethyl-2H-benzimidazole
CID 20812386
N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 21859815
5-methyl-2H-benzimidazole
CID 22891152
2H-Naphtho[2,3-D]imidazole
CID 45078539

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2H-benzimidazole?
The IUPAC name of 5-tert-butyl-2H-benzimidazole (CID 21303000) is 5-tert-butyl-2H-benzimidazole.
What is the SMILES notation for 5-tert-butyl-2H-benzimidazole?
The canonical SMILES for 5-tert-butyl-2H-benzimidazole is CC(C)(C)c1ccc2c(c1)=NCN=2.
What is the InChIKey of 5-tert-butyl-2H-benzimidazole?
The InChIKey is REFNPUGMCPPLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h4-6H,7H2,1-3H3.
What are the key properties of 5-tert-butyl-2H-benzimidazole?
5-tert-butyl-2H-benzimidazole has a molecular weight of 174.25 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2H-benzimidazole is sourced from PubChem (CID 21303000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).