1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine

C16H25N3 — CID 62506902

IUPAC1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCCC(C)C(C)n1c(C(C)C)nc2cc(N)ccc21
InChIInChI=1S/C16H25N3/c1-6-11(4)12(5)19-15-8-7-13(17)9-14(15)18-16(19)10(2)3/h7-12H,6,17H2,1-5H3
InChIKeyUTGVXSJHTPWRTE-UHFFFAOYSA-N
MW259.40 g/mol
LogP4.35
Rot. Bonds4

About 1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine

1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine (PubChem CID 62506902) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
PubChem CID62506902
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCCC(C)C(C)n1c(C(C)C)nc2cc(N)ccc21
InChIInChI=1S/C16H25N3/c1-6-11(4)12(5)19-15-8-7-13(17)9-14(15)18-16(19)10(2)3/h7-12H,6,17H2,1-5H3
InChIKeyUTGVXSJHTPWRTE-UHFFFAOYSA-N
XLogP4.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine (CID 62506902) is 1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine is CCC(C)C(C)n1c(C(C)C)nc2cc(N)ccc21.
What is the InChIKey of 1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine?
The InChIKey is UTGVXSJHTPWRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-6-11(4)12(5)19-15-8-7-13(17)9-14(15)18-16(19)10(2)3/h7-12H,6,17H2,1-5H3.
What are the key properties of 1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine?
1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine has a molecular weight of 259.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 62506902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).