1,2-dimethyl-N-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]benzimidazol-5-amine

C15H22N4O — CID 141468247

IUPAC1,2-dimethyl-N-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]benzimidazol-5-amine
SMILESCc1nc2cc(NC[C@@H]3CNC[C@@H](C)O3)ccc2n1C
InChIInChI=1S/C15H22N4O/c1-10-7-16-8-13(20-10)9-17-12-4-5-15-14(6-12)18-11(2)19(15)3/h4-6,10,13,16-17H,7-9H2,1-3H3/t10-,13+/m1/s1
InChIKeyBNVGIHSVHXCBGF-MFKMUULPSA-N
MW274.37 g/mol
LogP1.67
Rot. Bonds3

About 1,2-dimethyl-N-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]benzimidazol-5-amine

1,2-dimethyl-N-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]benzimidazol-5-amine (PubChem CID 141468247) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1,2-dimethyl-N-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]benzimidazol-5-amine
PubChem CID141468247
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1,2-dimethyl-N-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]benzimidazol-5-amine
SMILESCc1nc2cc(NC[C@@H]3CNC[C@@H](C)O3)ccc2n1C
InChIInChI=1S/C15H22N4O/c1-10-7-16-8-13(20-10)9-17-12-4-5-15-14(6-12)18-11(2)19(15)3/h4-6,10,13,16-17H,7-9H2,1-3H3/t10-,13+/m1/s1
InChIKeyBNVGIHSVHXCBGF-MFKMUULPSA-N
XLogP1.67
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]benzimidazol-5-amine?
The IUPAC name of 1,2-dimethyl-N-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]benzimidazol-5-amine (CID 141468247) is 1,2-dimethyl-N-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]benzimidazol-5-amine.
What is the SMILES notation for 1,2-dimethyl-N-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]benzimidazol-5-amine?
The canonical SMILES for 1,2-dimethyl-N-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]benzimidazol-5-amine is Cc1nc2cc(NC[C@@H]3CNC[C@@H](C)O3)ccc2n1C.
What is the InChIKey of 1,2-dimethyl-N-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]benzimidazol-5-amine?
The InChIKey is BNVGIHSVHXCBGF-MFKMUULPSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10-7-16-8-13(20-10)9-17-12-4-5-15-14(6-12)18-11(2)19(15)3/h4-6,10,13,16-17H,7-9H2,1-3H3/t10-,13+/m1/s1.
What are the key properties of 1,2-dimethyl-N-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]benzimidazol-5-amine?
1,2-dimethyl-N-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]benzimidazol-5-amine has a molecular weight of 274.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]benzimidazol-5-amine is sourced from PubChem (CID 141468247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).