2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine

C16H26N4 — CID 62640970

IUPAC2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine
SMILESCCN(C)CCn1c(C(C)(C)C)nc2cc(N)ccc21
InChIInChI=1S/C16H26N4/c1-6-19(5)9-10-20-14-8-7-12(17)11-13(14)18-15(20)16(2,3)4/h7-8,11H,6,9-10,17H2,1-5H3
InChIKeyDEGRZPWKPVTNET-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.87
Rot. Bonds4

About 2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine

2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine (PubChem CID 62640970) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine
PubChem CID62640970
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine
SMILESCCN(C)CCn1c(C(C)(C)C)nc2cc(N)ccc21
InChIInChI=1S/C16H26N4/c1-6-19(5)9-10-20-14-8-7-12(17)11-13(14)18-15(20)16(2,3)4/h7-8,11H,6,9-10,17H2,1-5H3
InChIKeyDEGRZPWKPVTNET-UHFFFAOYSA-N
XLogP2.87
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
2-tert-butyl-1-(3-ethoxypropyl)benzimidazol-5-amine
CID 62508319
2-tert-butyl-1-(3-methylsulfanylpropyl)benzimidazol-5-amine
CID 63957853
2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine
CID 115326894
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine
CID 62640262
2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine
CID 106408046
2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
CID 62506214
2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830504
1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
CID 55080071
1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine
CID 55079980
2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide
CID 62507372
2-tert-butyl-1-(pyridin-2-ylmethyl)benzimidazol-5-amine
CID 62507178

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine?
The IUPAC name of 2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine (CID 62640970) is 2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine.
What is the SMILES notation for 2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine?
The canonical SMILES for 2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine is CCN(C)CCn1c(C(C)(C)C)nc2cc(N)ccc21.
What is the InChIKey of 2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine?
The InChIKey is DEGRZPWKPVTNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-6-19(5)9-10-20-14-8-7-12(17)11-13(14)18-15(20)16(2,3)4/h7-8,11H,6,9-10,17H2,1-5H3.
What are the key properties of 2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine?
2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine has a molecular weight of 274.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine is sourced from PubChem (CID 62640970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).