2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine

C11H16N4 — CID 82282888

IUPAC2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine
SMILESCN(C)c1ccc2nc(CCN)[nH]c2c1
InChIInChI=1S/C11H16N4/c1-15(2)8-3-4-9-10(7-8)14-11(13-9)5-6-12/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyBCGLSDRIHWSQPE-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.13
Rot. Bonds3

About 2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine

2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine (PubChem CID 82282888) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine
PubChem CID82282888
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine
SMILESCN(C)c1ccc2nc(CCN)[nH]c2c1
InChIInChI=1S/C11H16N4/c1-15(2)8-3-4-9-10(7-8)14-11(13-9)5-6-12/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyBCGLSDRIHWSQPE-UHFFFAOYSA-N
XLogP1.13
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopropyl)-N,N-dimethyl-3H-benzimidazol-5-amine
CID 82285613
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
2-(6-phenyl-1H-benzimidazol-2-yl)ethanamine
CID 155970920
2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 170650587
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63693003
2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 155971100
2-butyl-3H-benzimidazol-5-amine
CID 23301932
N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735
4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
CID 82683218

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine?
The IUPAC name of 2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine (CID 82282888) is 2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine is CN(C)c1ccc2nc(CCN)[nH]c2c1.
What is the InChIKey of 2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine?
The InChIKey is BCGLSDRIHWSQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-15(2)8-3-4-9-10(7-8)14-11(13-9)5-6-12/h3-4,7H,5-6,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine?
2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine has a molecular weight of 204.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 82282888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).