3-butan-2-yl-2-methylbenzimidazol-5-amine

C12H17N3 — CID 133190269

IUPAC3-butan-2-yl-2-methylbenzimidazol-5-amine
SMILESCCC(C)n1c(C)nc2ccc(N)cc21
InChIInChI=1S/C12H17N3/c1-4-8(2)15-9(3)14-11-6-5-10(13)7-12(11)15/h5-8H,4,13H2,1-3H3
InChIKeyVUFGIRQNYSQGME-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.90
Rot. Bonds2

About 3-butan-2-yl-2-methylbenzimidazol-5-amine

3-butan-2-yl-2-methylbenzimidazol-5-amine (PubChem CID 133190269) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-butan-2-yl-2-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name3-butan-2-yl-2-methylbenzimidazol-5-amine
PubChem CID133190269
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-butan-2-yl-2-methylbenzimidazol-5-amine
SMILESCCC(C)n1c(C)nc2ccc(N)cc21
InChIInChI=1S/C12H17N3/c1-4-8(2)15-9(3)14-11-6-5-10(13)7-12(11)15/h5-8H,4,13H2,1-3H3
InChIKeyVUFGIRQNYSQGME-UHFFFAOYSA-N
XLogP2.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[1-(diethylamino)propan-2-yl]-2-methylbenzimidazol-5-amine
CID 62508219
2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine
CID 84777993
1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol
CID 62589068
1-hexan-3-yl-2-methylbenzimidazol-5-amine
CID 62506241
2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid
CID 82790543
1-butan-2-ylbenzotriazol-5-amine
CID 134294822
2-methyl-3-phenylbenzimidazol-5-amine
CID 9115278
1-(1-cyclopropylethyl)-2-methylbenzimidazol-5-amine
CID 62507037
2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol
CID 83895796
1-butan-2-ylindazol-5-amine;iron
CID 69411319
1-(1-chloropropan-2-yl)-2-methylbenzimidazole
CID 21239359
2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
CID 51970586

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-methylbenzimidazol-5-amine?
The IUPAC name of 3-butan-2-yl-2-methylbenzimidazol-5-amine (CID 133190269) is 3-butan-2-yl-2-methylbenzimidazol-5-amine.
What is the SMILES notation for 3-butan-2-yl-2-methylbenzimidazol-5-amine?
The canonical SMILES for 3-butan-2-yl-2-methylbenzimidazol-5-amine is CCC(C)n1c(C)nc2ccc(N)cc21.
What is the InChIKey of 3-butan-2-yl-2-methylbenzimidazol-5-amine?
The InChIKey is VUFGIRQNYSQGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-8(2)15-9(3)14-11-6-5-10(13)7-12(11)15/h5-8H,4,13H2,1-3H3.
What are the key properties of 3-butan-2-yl-2-methylbenzimidazol-5-amine?
3-butan-2-yl-2-methylbenzimidazol-5-amine has a molecular weight of 203.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-methylbenzimidazol-5-amine is sourced from PubChem (CID 133190269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).