1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine

C13H20N4 — CID 116948132

IUPAC1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine
SMILESCNC(c1ccc2c(c1)nc(C)n2C)C(C)N
InChIInChI=1S/C13H20N4/c1-8(14)13(15-3)10-5-6-12-11(7-10)16-9(2)17(12)4/h5-8,13,15H,14H2,1-4H3
InChIKeyOQYJNWNBGLAGPU-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.49
Rot. Bonds3

About 1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine

1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine (PubChem CID 116948132) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine
PubChem CID116948132
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine
SMILESCNC(c1ccc2c(c1)nc(C)n2C)C(C)N
InChIInChI=1S/C13H20N4/c1-8(14)13(15-3)10-5-6-12-11(7-10)16-9(2)17(12)4/h5-8,13,15H,14H2,1-4H3
InChIKeyOQYJNWNBGLAGPU-UHFFFAOYSA-N
XLogP1.49
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.49
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)-2-methylpropan-1-amine
CID 82493454
amino-(1,2-dimethylbenzimidazol-5-yl)methanol
CID 116939675
2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide
CID 116850441
3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol
CID 116952870
1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961257
1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945795
3-amino-3-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanoic acid
CID 116938084
(1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine
CID 91873506
1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine
CID 115196322
1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958696
1-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutane-1-carbonitrile
CID 116943729

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine (CID 116948132) is 1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine is CNC(c1ccc2c(c1)nc(C)n2C)C(C)N.
What is the InChIKey of 1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine?
The InChIKey is OQYJNWNBGLAGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-8(14)13(15-3)10-5-6-12-11(7-10)16-9(2)17(12)4/h5-8,13,15H,14H2,1-4H3.
What are the key properties of 1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine?
1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 116948132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).