2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine

C12H17N3 — CID 79798722

IUPAC2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc2c(C)cccc2[nH]1
InChIInChI=1S/C12H17N3/c1-4-12(3,13)11-14-9-7-5-6-8(2)10(9)15-11/h5-7H,4,13H2,1-3H3,(H,14,15)
InChIKeyUTOXGGOWGQVFJP-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.46
Rot. Bonds2

About 2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine

2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine (PubChem CID 79798722) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine
PubChem CID79798722
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc2c(C)cccc2[nH]1
InChIInChI=1S/C12H17N3/c1-4-12(3,13)11-14-9-7-5-6-8(2)10(9)15-11/h5-7H,4,13H2,1-3H3,(H,14,15)
InChIKeyUTOXGGOWGQVFJP-UHFFFAOYSA-N
XLogP2.46
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine?
The IUPAC name of 2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine (CID 79798722) is 2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine?
The canonical SMILES for 2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine is CCC(C)(N)c1nc2c(C)cccc2[nH]1.
What is the InChIKey of 2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine?
The InChIKey is UTOXGGOWGQVFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-12(3,13)11-14-9-7-5-6-8(2)10(9)15-11/h5-7H,4,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine?
2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine has a molecular weight of 203.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 79798722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).