1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine

C13H18N4 — CID 116906262

IUPAC1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1ccc2nc[nH]c2c1)C1CNC1
InChIInChI=1S/C13H18N4/c1-17(2)13(10-6-14-7-10)9-3-4-11-12(5-9)16-8-15-11/h3-5,8,10,13-14H,6-7H2,1-2H3,(H,15,16)
InChIKeyKNGNDAPACSNQBV-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.38
Rot. Bonds3

About 1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine

1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine (PubChem CID 116906262) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine
PubChem CID116906262
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1ccc2nc[nH]c2c1)C1CNC1
InChIInChI=1S/C13H18N4/c1-17(2)13(10-6-14-7-10)9-3-4-11-12(5-9)16-8-15-11/h3-5,8,10,13-14H,6-7H2,1-2H3,(H,15,16)
InChIKeyKNGNDAPACSNQBV-UHFFFAOYSA-N
XLogP1.38
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile
CID 116909829
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)ethanol
CID 116857291
6-(dimethoxymethyl)-1H-benzimidazole
CID 141171021
6-pentan-3-yl-1H-benzimidazole
CID 134401277
N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide
CID 115158786
1-(3H-benzimidazol-5-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 116905075
1-(3H-benzimidazol-5-yl)-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 116956654
2-(3H-benzimidazol-5-yl)butanenitrile
CID 116964577
2-[3H-benzimidazol-5-yl(dimethylamino)methyl]-3-methylbutanenitrile
CID 116913817
methyl 3-(3H-benzimidazol-5-yl)-3-(dimethylamino)propanoate
CID 116910225
1-(3H-benzimidazol-5-yl)-2-ethyl-N,N-dimethylpropane-1,3-diamine
CID 116913369
4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine
CID 116937177

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine (CID 116906262) is 1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine is CN(C)C(c1ccc2nc[nH]c2c1)C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine?
The InChIKey is KNGNDAPACSNQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-17(2)13(10-6-14-7-10)9-3-4-11-12(5-9)16-8-15-11/h3-5,8,10,13-14H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine?
1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine has a molecular weight of 230.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 116906262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).