2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine

C15H24N4 — CID 55001133

IUPAC2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine
SMILESCC(C)CN(Cc1nc2ccc(N)cc2[nH]1)C(C)C
InChIInChI=1S/C15H24N4/c1-10(2)8-19(11(3)4)9-15-17-13-6-5-12(16)7-14(13)18-15/h5-7,10-11H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyUHOWDEVFFODSDJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.01
Rot. Bonds5

About 2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine

2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine (PubChem CID 55001133) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine
PubChem CID55001133
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine
SMILESCC(C)CN(Cc1nc2ccc(N)cc2[nH]1)C(C)C
InChIInChI=1S/C15H24N4/c1-10(2)8-19(11(3)4)9-15-17-13-6-5-12(16)7-14(13)18-15/h5-7,10-11H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyUHOWDEVFFODSDJ-UHFFFAOYSA-N
XLogP3.01
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.01
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-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine
CID 43513808
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-3H-benzimidazol-5-amine
CID 78973840
2-[[(4-fluorophenyl)methyl-methylamino]methyl]-3H-benzimidazol-5-amine
CID 43575003
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-[2-(3-methylbutylsulfonyl)ethyl]-3H-benzimidazol-5-amine
CID 107751734
2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine
CID 112602881
4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
CID 45156250
2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine
CID 43375602
2-butyl-3H-benzimidazol-5-amine
CID 23301932
N-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 82335842
2-[[methyl(oxolan-3-yl)amino]methyl]-3H-benzimidazol-5-amine
CID 82731856
2-(2-butan-2-ylsulfanylethyl)-3H-benzimidazol-5-amine
CID 43513849

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine (CID 55001133) is 2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine is CC(C)CN(Cc1nc2ccc(N)cc2[nH]1)C(C)C.
What is the InChIKey of 2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine?
The InChIKey is UHOWDEVFFODSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-10(2)8-19(11(3)4)9-15-17-13-6-5-12(16)7-14(13)18-15/h5-7,10-11H,8-9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine?
2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine has a molecular weight of 260.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 55001133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).