2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine

C12H17N3O — CID 84623361

IUPAC2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine
SMILESCOc1cccc2nc(C(C)(C)N)n(C)c12
InChIInChI=1S/C12H17N3O/c1-12(2,13)11-14-8-6-5-7-9(16-4)10(8)15(11)3/h5-7H,13H2,1-4H3
InChIKeyWBRBWWASSGLJAC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.78
Rot. Bonds2

About 2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine

2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine (PubChem CID 84623361) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine
PubChem CID84623361
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine
SMILESCOc1cccc2nc(C(C)(C)N)n(C)c12
InChIInChI=1S/C12H17N3O/c1-12(2,13)11-14-8-6-5-7-9(16-4)10(8)15(11)3/h5-7H,13H2,1-4H3
InChIKeyWBRBWWASSGLJAC-UHFFFAOYSA-N
XLogP1.78
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine
CID 81456064
7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole
CID 84632352
ethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate
CID 81455583
3-methyl-2-(trifluoromethyl)benzimidazol-4-amine
CID 84680783
4-methoxy-5-methylindolo[3,2-b]quinoline;hydrochloride
CID 67599584
7-methoxy-2-methyl-1-(4,4,4-trifluorobutyl)benzimidazole
CID 163275937
2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)propan-2-amine
CID 84642998
2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine
CID 84629021
2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine
CID 84632050
2-ethyl-7-methoxy-1-methylindole
CID 84662166
8-methoxy-1-methylquinolin-2-one
CID 742791
7-methoxy-1,2-dimethylindole
CID 82279889

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine?
The IUPAC name of 2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine (CID 84623361) is 2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine?
The canonical SMILES for 2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine is COc1cccc2nc(C(C)(C)N)n(C)c12.
What is the InChIKey of 2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine?
The InChIKey is WBRBWWASSGLJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(2,13)11-14-8-6-5-7-9(16-4)10(8)15(11)3/h5-7H,13H2,1-4H3.
What are the key properties of 2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine?
2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 84623361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).