5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine

C15H22N4O2 — CID 83003239

IUPAC5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
SMILESCOc1cc2nc(N)n(CC3CCN(C)C3)c2cc1OC
InChIInChI=1S/C15H22N4O2/c1-18-5-4-10(8-18)9-19-12-7-14(21-3)13(20-2)6-11(12)17-15(19)16/h6-7,10H,4-5,8-9H2,1-3H3,(H2,16,17)
InChIKeyZWDZVWMNDZJNFV-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.59
Rot. Bonds4

About 5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine

5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine (PubChem CID 83003239) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
PubChem CID83003239
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
SMILESCOc1cc2nc(N)n(CC3CCN(C)C3)c2cc1OC
InChIInChI=1S/C15H22N4O2/c1-18-5-4-10(8-18)9-19-12-7-14(21-3)13(20-2)6-11(12)17-15(19)16/h6-7,10H,4-5,8-9H2,1-3H3,(H2,16,17)
InChIKeyZWDZVWMNDZJNFV-UHFFFAOYSA-N
XLogP1.59
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine (CID 83003239) is 5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine is COc1cc2nc(N)n(CC3CCN(C)C3)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
The InChIKey is ZWDZVWMNDZJNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18-5-4-10(8-18)9-19-12-7-14(21-3)13(20-2)6-11(12)17-15(19)16/h6-7,10H,4-5,8-9H2,1-3H3,(H2,16,17).
What are the key properties of 5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine has a molecular weight of 290.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 83003239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).