2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine

C16H24N4 — CID 62506736

IUPAC2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1CC1CCN(C(C)C)C1
InChIInChI=1S/C16H24N4/c1-11(2)19-7-6-13(9-19)10-20-12(3)18-15-8-14(17)4-5-16(15)20/h4-5,8,11,13H,6-7,9-10,17H2,1-3H3
InChIKeyOCTHOJXOOGSISK-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.66
Rot. Bonds3

About 2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine

2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine (PubChem CID 62506736) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine
PubChem CID62506736
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1CC1CCN(C(C)C)C1
InChIInChI=1S/C16H24N4/c1-11(2)19-7-6-13(9-19)10-20-12(3)18-15-8-14(17)4-5-16(15)20/h4-5,8,11,13H,6-7,9-10,17H2,1-3H3
InChIKeyOCTHOJXOOGSISK-UHFFFAOYSA-N
XLogP2.66
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine?
The IUPAC name of 2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine (CID 62506736) is 2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine?
The canonical SMILES for 2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine is Cc1nc2cc(N)ccc2n1CC1CCN(C(C)C)C1.
What is the InChIKey of 2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine?
The InChIKey is OCTHOJXOOGSISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-11(2)19-7-6-13(9-19)10-20-12(3)18-15-8-14(17)4-5-16(15)20/h4-5,8,11,13H,6-7,9-10,17H2,1-3H3.
What are the key properties of 2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine?
2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine has a molecular weight of 272.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 62506736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).