6-tert-butyl-1H-benzimidazol-3-ium-2-amine

C11H16N3+ — CID 21131531

IUPAC6-tert-butyl-1H-benzimidazol-3-ium-2-amine
SMILESCC(C)(C)c1ccc2[nH+]c(N)[nH]c2c1
InChIInChI=1S/C11H15N3/c1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h4-6H,1-3H3,(H3,12,13,14)/p+1
InChIKeyBBOCBUIGVLEEMV-UHFFFAOYSA-O
MW190.27 g/mol
LogP1.86
Rot. Bonds

About 6-tert-butyl-1H-benzimidazol-3-ium-2-amine

6-tert-butyl-1H-benzimidazol-3-ium-2-amine (PubChem CID 21131531) has the molecular formula C11H16N3+ and a molecular weight of 190.27 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazol-3-ium-2-amine.

Molecular Properties

Compound Name6-tert-butyl-1H-benzimidazol-3-ium-2-amine
PubChem CID21131531
Molecular FormulaC11H16N3+
Molecular Weight190.27 g/mol
Exact Mass190.13
IUPAC Name6-tert-butyl-1H-benzimidazol-3-ium-2-amine
SMILESCC(C)(C)c1ccc2[nH+]c(N)[nH]c2c1
InChIInChI=1S/C11H15N3/c1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h4-6H,1-3H3,(H3,12,13,14)/p+1
InChIKeyBBOCBUIGVLEEMV-UHFFFAOYSA-O
XLogP1.86
TPSA55.95 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-ditert-butyl-9H-carbazole;hydrobromide
CID 175936620
5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine
CID 155678873
5-tert-butyl-2-methylaniline
CID 13089979
4-tert-butyl-2-fluoroaniline
CID 10464690
2-tert-butyl-7-(trifluoromethyl)-9H-carbazole
CID 46855216
2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol
CID 123261460
5-tert-butyl-3-methyl-2H-isoindol-1-amine
CID 153425559
6-tert-butyl-2-(methylsulfonylmethyl)-1H-indole
CID 58209228
5-tert-butyl-2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)aniline
CID 70651038
6-tert-butyl-1H-indole-2-carboxylic acid
CID 5172468
1-(5-tert-butyl-1H-indol-2-yl)ethanamine
CID 84622424
N-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 163425799

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazol-3-ium-2-amine?
The IUPAC name of 6-tert-butyl-1H-benzimidazol-3-ium-2-amine (CID 21131531) is 6-tert-butyl-1H-benzimidazol-3-ium-2-amine.
What is the SMILES notation for 6-tert-butyl-1H-benzimidazol-3-ium-2-amine?
The canonical SMILES for 6-tert-butyl-1H-benzimidazol-3-ium-2-amine is CC(C)(C)c1ccc2[nH+]c(N)[nH]c2c1.
What is the InChIKey of 6-tert-butyl-1H-benzimidazol-3-ium-2-amine?
The InChIKey is BBOCBUIGVLEEMV-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H15N3/c1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h4-6H,1-3H3,(H3,12,13,14)/p+1.
What are the key properties of 6-tert-butyl-1H-benzimidazol-3-ium-2-amine?
6-tert-butyl-1H-benzimidazol-3-ium-2-amine has a molecular weight of 190.27 g/mol, XLogP of 1.86, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-benzimidazol-3-ium-2-amine is sourced from PubChem (CID 21131531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).