N'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine

C13H20N4 — CID 115195641

IUPACN'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine
SMILESCC(C)(CNCCN)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H20N4/c1-13(2,8-15-6-5-14)10-3-4-11-12(7-10)17-9-16-11/h3-4,7,9,15H,5-6,8,14H2,1-2H3,(H,16,17)
InChIKeyLBNIGIHUTOZKFS-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.39
Rot. Bonds5

About N'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine

N'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine (PubChem CID 115195641) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine
PubChem CID115195641
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine
SMILESCC(C)(CNCCN)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H20N4/c1-13(2,8-15-6-5-14)10-3-4-11-12(7-10)17-9-16-11/h3-4,7,9,15H,5-6,8,14H2,1-2H3,(H,16,17)
InChIKeyLBNIGIHUTOZKFS-UHFFFAOYSA-N
XLogP1.39
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine
CID 115195642
N-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]-2-hydroxyacetamide
CID 115140312
1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115136178
5-[1-(3-aminopropylamino)-2-methylpropan-2-yl]-1,3-dihydrobenzimidazol-2-one
CID 115197598
1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine
CID 115205454
2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115132184
2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride
CID 116866400
N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine
CID 115195580
10-(3H-benzimidazol-5-yl)decan-1-amine
CID 150986948
6-(2,2-dimethylpropyl)-1H-benzimidazole
CID 58236536
N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 115195585
N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine
CID 115226891

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine (CID 115195641) is N'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine is CC(C)(CNCCN)c1ccc2nc[nH]c2c1.
What is the InChIKey of N'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine?
The InChIKey is LBNIGIHUTOZKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-13(2,8-15-6-5-14)10-3-4-11-12(7-10)17-9-16-11/h3-4,7,9,15H,5-6,8,14H2,1-2H3,(H,16,17).
What are the key properties of N'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine?
N'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine is sourced from PubChem (CID 115195641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).