1-[5,6-dimethoxy-1-(2-methylpropyl)benzimidazol-2-yl]propan-1-amine

C16H25N3O2 — CID 82025003

IUPAC1-[5,6-dimethoxy-1-(2-methylpropyl)benzimidazol-2-yl]propan-1-amine
SMILESCCC(N)c1nc2cc(OC)c(OC)cc2n1CC(C)C
InChIInChI=1S/C16H25N3O2/c1-6-11(17)16-18-12-7-14(20-4)15(21-5)8-13(12)19(16)9-10(2)3/h7-8,10-11H,6,9,17H2,1-5H3
InChIKeyZVEFNGKLGHNVBT-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.12
Rot. Bonds6

About 1-[5,6-dimethoxy-1-(2-methylpropyl)benzimidazol-2-yl]propan-1-amine

1-[5,6-dimethoxy-1-(2-methylpropyl)benzimidazol-2-yl]propan-1-amine (PubChem CID 82025003) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[5,6-dimethoxy-1-(2-methylpropyl)benzimidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5,6-dimethoxy-1-(2-methylpropyl)benzimidazol-2-yl]propan-1-amine
PubChem CID82025003
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-[5,6-dimethoxy-1-(2-methylpropyl)benzimidazol-2-yl]propan-1-amine
SMILESCCC(N)c1nc2cc(OC)c(OC)cc2n1CC(C)C
InChIInChI=1S/C16H25N3O2/c1-6-11(17)16-18-12-7-14(20-4)15(21-5)8-13(12)19(16)9-10(2)3/h7-8,10-11H,6,9,17H2,1-5H3
InChIKeyZVEFNGKLGHNVBT-UHFFFAOYSA-N
XLogP3.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5,6-dimethoxy-1-(2-methylpropyl)benzimidazol-2-yl]propan-1-amine?
The IUPAC name of 1-[5,6-dimethoxy-1-(2-methylpropyl)benzimidazol-2-yl]propan-1-amine (CID 82025003) is 1-[5,6-dimethoxy-1-(2-methylpropyl)benzimidazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5,6-dimethoxy-1-(2-methylpropyl)benzimidazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[5,6-dimethoxy-1-(2-methylpropyl)benzimidazol-2-yl]propan-1-amine is CCC(N)c1nc2cc(OC)c(OC)cc2n1CC(C)C.
What is the InChIKey of 1-[5,6-dimethoxy-1-(2-methylpropyl)benzimidazol-2-yl]propan-1-amine?
The InChIKey is ZVEFNGKLGHNVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-6-11(17)16-18-12-7-14(20-4)15(21-5)8-13(12)19(16)9-10(2)3/h7-8,10-11H,6,9,17H2,1-5H3.
What are the key properties of 1-[5,6-dimethoxy-1-(2-methylpropyl)benzimidazol-2-yl]propan-1-amine?
1-[5,6-dimethoxy-1-(2-methylpropyl)benzimidazol-2-yl]propan-1-amine has a molecular weight of 291.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-dimethoxy-1-(2-methylpropyl)benzimidazol-2-yl]propan-1-amine is sourced from PubChem (CID 82025003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).