[1-methyl-2-(2-methyloxolan-3-yl)benzimidazol-5-yl]methanamine

C14H19N3O — CID 79762844

IUPAC[1-methyl-2-(2-methyloxolan-3-yl)benzimidazol-5-yl]methanamine
SMILESCC1OCCC1c1nc2cc(CN)ccc2n1C
InChIInChI=1S/C14H19N3O/c1-9-11(5-6-18-9)14-16-12-7-10(8-15)3-4-13(12)17(14)2/h3-4,7,9,11H,5-6,8,15H2,1-2H3
InChIKeyGMUHGWPMHSUMRZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.92
Rot. Bonds2

About [1-methyl-2-(2-methyloxolan-3-yl)benzimidazol-5-yl]methanamine

[1-methyl-2-(2-methyloxolan-3-yl)benzimidazol-5-yl]methanamine (PubChem CID 79762844) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [1-methyl-2-(2-methyloxolan-3-yl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-(2-methyloxolan-3-yl)benzimidazol-5-yl]methanamine
PubChem CID79762844
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[1-methyl-2-(2-methyloxolan-3-yl)benzimidazol-5-yl]methanamine
SMILESCC1OCCC1c1nc2cc(CN)ccc2n1C
InChIInChI=1S/C14H19N3O/c1-9-11(5-6-18-9)14-16-12-7-10(8-15)3-4-13(12)17(14)2/h3-4,7,9,11H,5-6,8,15H2,1-2H3
InChIKeyGMUHGWPMHSUMRZ-UHFFFAOYSA-N
XLogP1.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(2-methyloxolan-3-yl)benzimidazol-5-yl]methanamine?
The IUPAC name of [1-methyl-2-(2-methyloxolan-3-yl)benzimidazol-5-yl]methanamine (CID 79762844) is [1-methyl-2-(2-methyloxolan-3-yl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [1-methyl-2-(2-methyloxolan-3-yl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [1-methyl-2-(2-methyloxolan-3-yl)benzimidazol-5-yl]methanamine is CC1OCCC1c1nc2cc(CN)ccc2n1C.
What is the InChIKey of [1-methyl-2-(2-methyloxolan-3-yl)benzimidazol-5-yl]methanamine?
The InChIKey is GMUHGWPMHSUMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-11(5-6-18-9)14-16-12-7-10(8-15)3-4-13(12)17(14)2/h3-4,7,9,11H,5-6,8,15H2,1-2H3.
What are the key properties of [1-methyl-2-(2-methyloxolan-3-yl)benzimidazol-5-yl]methanamine?
[1-methyl-2-(2-methyloxolan-3-yl)benzimidazol-5-yl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(2-methyloxolan-3-yl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 79762844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).