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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Related Compounds

N-(chloromethyl)-1,2-dimethylbenzimidazol-5-amine
CID 115262747
1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine
CID 115196322
1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine
CID 3159773
1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one
CID 115234497
3-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-1-ol
CID 115216675
3-[(1,2-dimethylbenzimidazol-5-yl)amino]-2,2-dimethylpropanoic acid
CID 115136437
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate
CID 115232706
[1-[[(1,2-dimethylbenzimidazol-5-yl)amino]methyl]cyclobutyl]methanol
CID 115246752
1-N-(1,2-dimethylbenzimidazol-5-yl)pentane-1,4-diamine
CID 115203627
2-methyl-N-[(5-methyloxolan-2-yl)methyl]-3H-benzimidazol-5-amine
CID 82835140
6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride
CID 86596193
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate
CID 115128288

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).