2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol

C13H19N3O — CID 115136919

IUPAC2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol
SMILESCN(CC(C)(C)O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C13H19N3O/c1-13(2,17)8-15(3)10-5-6-12-11(7-10)14-9-16(12)4/h5-7,9,17H,8H2,1-4H3
InChIKeyVZASQYWHVUXLTJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.78
Rot. Bonds3

About 2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol

2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol (PubChem CID 115136919) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol
PubChem CID115136919
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol
SMILESCN(CC(C)(C)O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C13H19N3O/c1-13(2,17)8-15(3)10-5-6-12-11(7-10)14-9-16(12)4/h5-7,9,17H,8H2,1-4H3
InChIKeyVZASQYWHVUXLTJ-UHFFFAOYSA-N
XLogP1.78
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine
CID 115119590
3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide
CID 115154935
3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
CID 115154607
N,2-dimethyl-2-(methylamino)-N-(1-methylbenzimidazol-5-yl)propanamide
CID 115165679
N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide
CID 110869331
2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115257973
ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate
CID 110869320
2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide
CID 115178873
3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
CID 115153596
N,1-dimethyl-N-(morpholin-2-ylmethyl)benzimidazol-5-amine
CID 115237579
2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one
CID 116920419
4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine
CID 115149791

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol (CID 115136919) is 2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol is CN(CC(C)(C)O)c1ccc2c(c1)ncn2C.
What is the InChIKey of 2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol?
The InChIKey is VZASQYWHVUXLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2,17)8-15(3)10-5-6-12-11(7-10)14-9-16(12)4/h5-7,9,17H,8H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol?
2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol has a molecular weight of 233.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 115136919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).