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

C14H22N4 — CID 116913369

IUPAC1-(3H-benzimidazol-5-yl)-2-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCC(CN)C(c1ccc2nc[nH]c2c1)N(C)C
InChIInChI=1S/C14H22N4/c1-4-10(8-15)14(18(2)3)11-5-6-12-13(7-11)17-9-16-12/h5-7,9-10,14H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyNLARUYLXHQNGNK-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.15
Rot. Bonds5

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

1-(3H-benzimidazol-5-yl)-2-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 116913369) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-2-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-2-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID116913369
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-(3H-benzimidazol-5-yl)-2-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCC(CN)C(c1ccc2nc[nH]c2c1)N(C)C
InChIInChI=1S/C14H22N4/c1-4-10(8-15)14(18(2)3)11-5-6-12-13(7-11)17-9-16-12/h5-7,9-10,14H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyNLARUYLXHQNGNK-UHFFFAOYSA-N
XLogP2.15
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-pentan-3-yl-1H-benzimidazole
CID 134401277
1-(3H-benzimidazol-5-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 116905075
2-[3H-benzimidazol-5-yl(dimethylamino)methyl]-3-methylbutanenitrile
CID 116913817
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile
CID 116909829
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)ethanol
CID 116857291
ethyl 2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetate
CID 116914274
2-(3H-benzimidazol-5-yl)butanenitrile
CID 116964577
2-ethyl-N,N-dimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine
CID 116913308
2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 117040046
3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine
CID 82493432
methyl 3-(3H-benzimidazol-5-yl)-3-(dimethylamino)propanoate
CID 116910225
(2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 96741805

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-2-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-2-ethyl-N,N-dimethylpropane-1,3-diamine (CID 116913369) is 1-(3H-benzimidazol-5-yl)-2-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-2-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-2-ethyl-N,N-dimethylpropane-1,3-diamine is CCC(CN)C(c1ccc2nc[nH]c2c1)N(C)C.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-2-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is NLARUYLXHQNGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-10(8-15)14(18(2)3)11-5-6-12-13(7-11)17-9-16-12/h5-7,9-10,14H,4,8,15H2,1-3H3,(H,16,17).
What are the key properties of 1-(3H-benzimidazol-5-yl)-2-ethyl-N,N-dimethylpropane-1,3-diamine?
1-(3H-benzimidazol-5-yl)-2-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-2-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 116913369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).