2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine

C13H20N4 — CID 106328017

IUPAC2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine
SMILESCCC(C)(CC)Nc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C13H20N4/c1-4-13(3,5-2)17-12-15-10-7-6-9(14)8-11(10)16-12/h6-8H,4-5,14H2,1-3H3,(H2,15,16,17)
InChIKeyJPUPKXPQMBJZTM-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.14
Rot. Bonds4

About 2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine

2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine (PubChem CID 106328017) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine
PubChem CID106328017
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine
SMILESCCC(C)(CC)Nc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C13H20N4/c1-4-13(3,5-2)17-12-15-10-7-6-9(14)8-11(10)16-12/h6-8H,4-5,14H2,1-3H3,(H2,15,16,17)
InChIKeyJPUPKXPQMBJZTM-UHFFFAOYSA-N
XLogP3.14
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-3H-benzimidazol-5-amine
CID 83416584
2-N-(2-propan-2-yloxyethyl)-3H-benzimidazole-2,5-diamine
CID 113449876
3-methyl-3-[(6-nitro-1H-benzimidazol-2-yl)amino]pentan-1-ol
CID 106171761
tert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate
CID 114517994
tert-butyl N-(6-amino-1H-benzimidazol-2-yl)carbamate
CID 69105949
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-N-[2-(2-methylprop-2-enoxy)ethyl]-3H-benzimidazole-2,5-diamine
CID 114465272
3-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 106309029
N-ethyl-6-phosphanyl-1H-benzimidazol-2-amine
CID 162722217
N-tert-butyl-6-chloro-1H-benzimidazol-2-amine
CID 119086306
2-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3H-benzimidazole-2,5-diamine
CID 106281242
[1-[[(6-amino-1H-benzimidazol-2-yl)amino]methyl]cyclohexyl]methanol
CID 103965451

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine?
The IUPAC name of 2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine (CID 106328017) is 2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine.
What is the SMILES notation for 2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine?
The canonical SMILES for 2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine is CCC(C)(CC)Nc1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine?
The InChIKey is JPUPKXPQMBJZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-4-13(3,5-2)17-12-15-10-7-6-9(14)8-11(10)16-12/h6-8H,4-5,14H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine?
2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine has a molecular weight of 232.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine is sourced from PubChem (CID 106328017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).