4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methyloxolan-3-amine

C14H19N3O3 — CID 66237805

IUPAC4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nc2cc(OC)c(OC)cc2[nH]1
InChIInChI=1S/C14H19N3O3/c1-15-11-7-20-6-8(11)14-16-9-4-12(18-2)13(19-3)5-10(9)17-14/h4-5,8,11,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyJZNRUBSXWRLFJN-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.28
Rot. Bonds4

About 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methyloxolan-3-amine

4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methyloxolan-3-amine (PubChem CID 66237805) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methyloxolan-3-amine
PubChem CID66237805
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nc2cc(OC)c(OC)cc2[nH]1
InChIInChI=1S/C14H19N3O3/c1-15-11-7-20-6-8(11)14-16-9-4-12(18-2)13(19-3)5-10(9)17-14/h4-5,8,11,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyJZNRUBSXWRLFJN-UHFFFAOYSA-N
XLogP1.28
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methyloxolan-3-amine?
The IUPAC name of 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methyloxolan-3-amine (CID 66237805) is 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methyloxolan-3-amine.
What is the SMILES notation for 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methyloxolan-3-amine?
The canonical SMILES for 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methyloxolan-3-amine is CNC1COCC1c1nc2cc(OC)c(OC)cc2[nH]1.
What is the InChIKey of 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methyloxolan-3-amine?
The InChIKey is JZNRUBSXWRLFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-15-11-7-20-6-8(11)14-16-9-4-12(18-2)13(19-3)5-10(9)17-14/h4-5,8,11,15H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methyloxolan-3-amine?
4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methyloxolan-3-amine has a molecular weight of 277.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methyloxolan-3-amine is sourced from PubChem (CID 66237805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).