1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine

C13H20N4 — CID 115136178

IUPAC1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C13H20N4/c1-13(2,14)8-15-6-5-10-3-4-11-12(7-10)17-9-16-11/h3-4,7,9,15H,5-6,8,14H2,1-2H3,(H,16,17)
InChIKeyZNPZGTCBBBGWMI-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.43
Rot. Bonds5

About 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine

1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine (PubChem CID 115136178) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
PubChem CID115136178
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C13H20N4/c1-13(2,14)8-15-6-5-10-3-4-11-12(7-10)17-9-16-11/h3-4,7,9,15H,5-6,8,14H2,1-2H3,(H,16,17)
InChIKeyZNPZGTCBBBGWMI-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
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

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
N'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252579
3-[2-(3H-benzimidazol-5-yl)ethylamino]-2-methylpropanoic acid
CID 115219571
N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 110791381
5-[2-[(2-amino-2-methylpropyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115136177
2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine
CID 115230151
N-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide
CID 110791415
N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158058
6-(2,2-dimethylpropyl)-1H-benzimidazole
CID 58236536
N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide
CID 110791317
1-[[2-(3H-benzimidazol-5-yl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243084

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine (CID 115136178) is 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine is CC(C)(N)CNCCc1ccc2nc[nH]c2c1.
What is the InChIKey of 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine?
The InChIKey is ZNPZGTCBBBGWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-13(2,14)8-15-6-5-10-3-4-11-12(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 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine?
1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 115136178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).