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

C14H22N4 — CID 116905075

IUPAC1-(3H-benzimidazol-5-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine
SMILESCN(C)C(CC(C)(C)N)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H22N4/c1-14(2,15)8-13(18(3)4)10-5-6-11-12(7-10)17-9-16-11/h5-7,9,13H,8,15H2,1-4H3,(H,16,17)
InChIKeyJYARAJAJTJJAEV-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.29
Rot. Bonds4

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

1-(3H-benzimidazol-5-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine (PubChem CID 116905075) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine
PubChem CID116905075
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-(3H-benzimidazol-5-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine
SMILESCN(C)C(CC(C)(C)N)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H22N4/c1-14(2,15)8-13(18(3)4)10-5-6-11-12(7-10)17-9-16-11/h5-7,9,13H,8,15H2,1-4H3,(H,16,17)
InChIKeyJYARAJAJTJJAEV-UHFFFAOYSA-N
XLogP2.29
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3H-benzimidazol-5-yl)-2-(dimethylamino)ethanol
CID 116857291
methyl 3-(3H-benzimidazol-5-yl)-3-(dimethylamino)propanoate
CID 116910225
5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one
CID 116910664
1-(3H-benzimidazol-5-yl)-2-ethyl-N,N-dimethylpropane-1,3-diamine
CID 116913369
ethyl 2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetate
CID 116914274
1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 116905016
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile
CID 116909829
6-pentan-3-yl-1H-benzimidazole
CID 134401277
2-(3H-benzimidazol-5-yl)butanenitrile
CID 116964577
2-[3H-benzimidazol-5-yl(dimethylamino)methyl]-3-methylbutanenitrile
CID 116913817
2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 70374087
N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 163537798

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine (CID 116905075) is 1-(3H-benzimidazol-5-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine is CN(C)C(CC(C)(C)N)c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine?
The InChIKey is JYARAJAJTJJAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-14(2,15)8-13(18(3)4)10-5-6-11-12(7-10)17-9-16-11/h5-7,9,13H,8,15H2,1-4H3,(H,16,17).
What are the key properties of 1-(3H-benzimidazol-5-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine?
1-(3H-benzimidazol-5-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.29, 4 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)-1-N,1-N,3-trimethylbutane-1,3-diamine is sourced from PubChem (CID 116905075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).