3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol

C13H19N3O — CID 116952870

IUPAC3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C13H19N3O/c1-9-15-12-8-10(11(14-2)6-7-17)4-5-13(12)16(9)3/h4-5,8,11,14,17H,6-7H2,1-3H3
InChIKeyWMXDBPZNPOONAB-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.52
Rot. Bonds4

About 3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol

3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol (PubChem CID 116952870) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol
PubChem CID116952870
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C13H19N3O/c1-9-15-12-8-10(11(14-2)6-7-17)4-5-13(12)16(9)3/h4-5,8,11,14,17H,6-7H2,1-3H3
InChIKeyWMXDBPZNPOONAB-UHFFFAOYSA-N
XLogP1.52
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine
CID 116949624
1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine
CID 116948132
amino-(1,2-dimethylbenzimidazol-5-yl)methanol
CID 116939675
2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide
CID 116850441
1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961257
2-(1,2-dimethylbenzimidazol-5-yl)sulfanylethanol
CID 116852698
3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64814917
1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958696
1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine
CID 82493454
3-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-1-ol
CID 115216675
2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol
CID 115216317
1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945795

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol?
The IUPAC name of 3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol (CID 116952870) is 3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol is CNC(CCO)c1ccc2c(c1)nc(C)n2C.
What is the InChIKey of 3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol?
The InChIKey is WMXDBPZNPOONAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-15-12-8-10(11(14-2)6-7-17)4-5-13(12)16(9)3/h4-5,8,11,14,17H,6-7H2,1-3H3.
What are the key properties of 3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol?
3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 116952870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).