2-tert-butyl-6-methoxy-1H-benzimidazole

C12H16N2O — CID 58861925

IUPAC2-tert-butyl-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C12H16N2O/c1-12(2,3)11-13-9-6-5-8(15-4)7-10(9)14-11/h5-7H,1-4H3,(H,13,14)
InChIKeyDHNRWPDELLAYHD-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.87
Rot. Bonds1

About 2-tert-butyl-6-methoxy-1H-benzimidazole

2-tert-butyl-6-methoxy-1H-benzimidazole (PubChem CID 58861925) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-tert-butyl-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-tert-butyl-6-methoxy-1H-benzimidazole
PubChem CID58861925
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-tert-butyl-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C12H16N2O/c1-12(2,3)11-13-9-6-5-8(15-4)7-10(9)14-11/h5-7H,1-4H3,(H,13,14)
InChIKeyDHNRWPDELLAYHD-UHFFFAOYSA-N
XLogP2.87
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[bromo(difluoro)methyl]-6-methoxy-1H-benzimidazole
CID 119085033
2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine
CID 155399354
2-tert-butyl-5,6-dimethoxy-1H-benzimidazole
CID 39158314
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 39951309
3,7-dimethoxy-1H-quinoxalin-2-one
CID 130182707
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethylbutan-2-ol
CID 3439655
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 65017857
6-methoxy-2-nitro-1H-benzimidazole
CID 24860
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one
CID 11806856
2-tert-butyl-N-(4-methylsulfanylbutyl)-3H-benzimidazol-5-amine
CID 103087304

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-tert-butyl-6-methoxy-1H-benzimidazole (CID 58861925) is 2-tert-butyl-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-tert-butyl-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-tert-butyl-6-methoxy-1H-benzimidazole is COc1ccc2nc(C(C)(C)C)[nH]c2c1.
What is the InChIKey of 2-tert-butyl-6-methoxy-1H-benzimidazole?
The InChIKey is DHNRWPDELLAYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2,3)11-13-9-6-5-8(15-4)7-10(9)14-11/h5-7H,1-4H3,(H,13,14).
What are the key properties of 2-tert-butyl-6-methoxy-1H-benzimidazole?
2-tert-butyl-6-methoxy-1H-benzimidazole has a molecular weight of 204.27 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 58861925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).