tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate

C14H18N2O2 — CID 143547748

IUPACtert-butyl 2,6-dimethylbenzimidazole-1-carboxylate
SMILESCc1ccc2nc(C)n(C(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C14H18N2O2/c1-9-6-7-11-12(8-9)16(10(2)15-11)13(17)18-14(3,4)5/h6-8H,1-5H3
InChIKeyAETNWAMCRPNCTF-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.44
Rot. Bonds

About tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate

tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate (PubChem CID 143547748) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,6-dimethylbenzimidazole-1-carboxylate
PubChem CID143547748
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Nametert-butyl 2,6-dimethylbenzimidazole-1-carboxylate
SMILESCc1ccc2nc(C)n(C(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C14H18N2O2/c1-9-6-7-11-12(8-9)16(10(2)15-11)13(17)18-14(3,4)5/h6-8H,1-5H3
InChIKeyAETNWAMCRPNCTF-UHFFFAOYSA-N
XLogP3.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate?
The IUPAC name of tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate (CID 143547748) is tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate?
The canonical SMILES for tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate is Cc1ccc2nc(C)n(C(=O)OC(C)(C)C)c2c1.
What is the InChIKey of tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate?
The InChIKey is AETNWAMCRPNCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-6-7-11-12(8-9)16(10(2)15-11)13(17)18-14(3,4)5/h6-8H,1-5H3.
What are the key properties of tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate?
tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate is sourced from PubChem (CID 143547748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).