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

C11H16N4 — CID 116947969

IUPAC1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCC(NC)c1ccc2nc[nH]c2c1
InChIInChI=1S/C11H16N4/c1-12-6-11(13-2)8-3-4-9-10(5-8)15-7-14-9/h3-5,7,11-13H,6H2,1-2H3,(H,14,15)
InChIKeyDUPNFIAUAFTACD-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.04
Rot. Bonds4

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

1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 116947969) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID116947969
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCC(NC)c1ccc2nc[nH]c2c1
InChIInChI=1S/C11H16N4/c1-12-6-11(13-2)8-3-4-9-10(5-8)15-7-14-9/h3-5,7,11-13H,6H2,1-2H3,(H,14,15)
InChIKeyDUPNFIAUAFTACD-UHFFFAOYSA-N
XLogP1.04
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 116831645
6-pentan-3-yl-1H-benzimidazole
CID 134401277
4-[3H-benzimidazol-5-yl(methylamino)methyl]-N-methylaniline
CID 116952117
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)ethanol
CID 116857291
6-(dimethoxymethyl)-1H-benzimidazole
CID 141171021
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119840627
1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947987
2-(3H-benzimidazol-5-yl)butanenitrile
CID 116964577
CID 157410638
CID 157410638
2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 70374087
N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 163537798
(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)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine (CID 116947969) is 1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine is CNCC(NC)c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is DUPNFIAUAFTACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-12-6-11(13-2)8-3-4-9-10(5-8)15-7-14-9/h3-5,7,11-13H,6H2,1-2H3,(H,14,15).
What are the key properties of 1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine?
1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 204.28 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 116947969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).