2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine

C13H20N4 — CID 115138063

IUPAC2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(CN)N(C)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H20N4/c1-9(2)13(7-14)17(3)10-4-5-11-12(6-10)16-8-15-11/h4-6,8-9,13H,7,14H2,1-3H3,(H,15,16)
InChIKeyXKSSEKAKIORVJP-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.98
Rot. Bonds4

About 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine

2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine (PubChem CID 115138063) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine
PubChem CID115138063
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(CN)N(C)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H20N4/c1-9(2)13(7-14)17(3)10-4-5-11-12(6-10)16-8-15-11/h4-6,8-9,13H,7,14H2,1-3H3,(H,15,16)
InChIKeyXKSSEKAKIORVJP-UHFFFAOYSA-N
XLogP1.98
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 117040046
2-[3H-benzimidazol-5-yl(methyl)amino]ethanol
CID 115216158
4-N-(3H-benzimidazol-5-yl)-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123826
N-(3-chloropropyl)-N-methyl-3H-benzimidazol-5-amine
CID 115215551
N-(3H-benzimidazol-5-yl)-N-methylacetamide
CID 110869162
3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine
CID 82493432
4-[3H-benzimidazol-5-yl(methyl)amino]butanenitrile
CID 115231610
2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine
CID 115137983
N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 115203481
N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine
CID 117044066
2-[[3H-benzimidazol-5-yl(methyl)amino]methyl]butan-1-ol
CID 115250690
2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126028

Frequently Asked Questions

What is the IUPAC name of 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine (CID 115138063) is 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine is CC(C)C(CN)N(C)c1ccc2nc[nH]c2c1.
What is the InChIKey of 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine?
The InChIKey is XKSSEKAKIORVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9(2)13(7-14)17(3)10-4-5-11-12(6-10)16-8-15-11/h4-6,8-9,13H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine?
2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 115138063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).