2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine

C16H25N3O — CID 82331939

IUPAC2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine
SMILESCC(C)CNCCc1nc2ccc(OC(C)C)cc2[nH]1
InChIInChI=1S/C16H25N3O/c1-11(2)10-17-8-7-16-18-14-6-5-13(20-12(3)4)9-15(14)19-16/h5-6,9,11-12,17H,7-8,10H2,1-4H3,(H,18,19)
InChIKeyRGZHQUPCIYSDSF-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.14
Rot. Bonds7

About 2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine

2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 82331939) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine
PubChem CID82331939
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine
SMILESCC(C)CNCCc1nc2ccc(OC(C)C)cc2[nH]1
InChIInChI=1S/C16H25N3O/c1-11(2)10-17-8-7-16-18-14-6-5-13(20-12(3)4)9-15(14)19-16/h5-6,9,11-12,17H,7-8,10H2,1-4H3,(H,18,19)
InChIKeyRGZHQUPCIYSDSF-UHFFFAOYSA-N
XLogP3.14
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine (CID 82331939) is 2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine is CC(C)CNCCc1nc2ccc(OC(C)C)cc2[nH]1.
What is the InChIKey of 2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is RGZHQUPCIYSDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)10-17-8-7-16-18-14-6-5-13(20-12(3)4)9-15(14)19-16/h5-6,9,11-12,17H,7-8,10H2,1-4H3,(H,18,19).
What are the key properties of 2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine?
2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82331939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).