2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine

C16H24N4 — CID 107397319

IUPAC2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine
SMILESCCN(CCc1nc2ccc(N)cc2[nH]1)CC1CCC1
InChIInChI=1S/C16H24N4/c1-2-20(11-12-4-3-5-12)9-8-16-18-14-7-6-13(17)10-15(14)19-16/h6-7,10,12H,2-5,8-9,11,17H2,1H3,(H,18,19)
InChIKeyWHLQHZKYWYWMNF-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.81
Rot. Bonds6

About 2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine

2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine (PubChem CID 107397319) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine
PubChem CID107397319
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine
SMILESCCN(CCc1nc2ccc(N)cc2[nH]1)CC1CCC1
InChIInChI=1S/C16H24N4/c1-2-20(11-12-4-3-5-12)9-8-16-18-14-7-6-13(17)10-15(14)19-16/h6-7,10,12H,2-5,8-9,11,17H2,1H3,(H,18,19)
InChIKeyWHLQHZKYWYWMNF-UHFFFAOYSA-N
XLogP2.81
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine
CID 61443744
N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991418
2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide
CID 103101302
2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine
CID 3373556
2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine
CID 43513808
2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine
CID 61431016
2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine
CID 43375602
2-butyl-3H-benzimidazol-5-amine
CID 23301932
N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63693003
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-(2-ethoxyethyl)-3H-benzimidazol-5-amine
CID 62589728
3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline
CID 65348006

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine (CID 107397319) is 2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine is CCN(CCc1nc2ccc(N)cc2[nH]1)CC1CCC1.
What is the InChIKey of 2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine?
The InChIKey is WHLQHZKYWYWMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-20(11-12-4-3-5-12)9-8-16-18-14-7-6-13(17)10-15(14)19-16/h6-7,10,12H,2-5,8-9,11,17H2,1H3,(H,18,19).
What are the key properties of 2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine?
2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine has a molecular weight of 272.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 107397319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).