2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine

C12H17N3O — CID 155399354

IUPAC2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine
SMILESCONc1ccc2nc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C12H17N3O/c1-12(2,3)11-13-9-6-5-8(15-16-4)7-10(9)14-11/h5-7,15H,1-4H3,(H,13,14)
InChIKeyJVZTVWXIMTWILC-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.83
Rot. Bonds2

About 2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine

2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine (PubChem CID 155399354) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine
PubChem CID155399354
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine
SMILESCONc1ccc2nc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C12H17N3O/c1-12(2,3)11-13-9-6-5-8(15-16-4)7-10(9)14-11/h5-7,15H,1-4H3,(H,13,14)
InChIKeyJVZTVWXIMTWILC-UHFFFAOYSA-N
XLogP2.83
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-6-methoxy-1H-benzimidazole
CID 58861925
2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol
CID 81399858
N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 53368058
2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 28714219
N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-chloropropanamide
CID 61251536
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide
CID 62639166
cis-(1R,2S)-N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-methylcyclopropane-1-carboxamide
CID 39693129
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 39951309
2-tert-butyl-N-(4-methylsulfanylbutyl)-3H-benzimidazol-5-amine
CID 103087304
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide
CID 61274236
2-tert-butyl-5,6-dimethoxy-1H-benzimidazole
CID 39158314
2-tert-butyl-N-(1-methylpyrrolidin-3-yl)-3H-benzimidazol-5-amine
CID 62975044

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine?
The IUPAC name of 2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine (CID 155399354) is 2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine?
The canonical SMILES for 2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine is CONc1ccc2nc(C(C)(C)C)[nH]c2c1.
What is the InChIKey of 2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine?
The InChIKey is JVZTVWXIMTWILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(2,3)11-13-9-6-5-8(15-16-4)7-10(9)14-11/h5-7,15H,1-4H3,(H,13,14).
What are the key properties of 2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine?
2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine has a molecular weight of 219.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine is sourced from PubChem (CID 155399354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).