2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine

C17H20N4 — CID 28714219

IUPAC2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
SMILESCC(C)(C)c1nc2ccc(NCc3ccncc3)cc2[nH]1
InChIInChI=1S/C17H20N4/c1-17(2,3)16-20-14-5-4-13(10-15(14)21-16)19-11-12-6-8-18-9-7-12/h4-10,19H,11H2,1-3H3,(H,20,21)
InChIKeyNPZDAARINZUABB-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.87
Rot. Bonds3

About 2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine

2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine (PubChem CID 28714219) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
PubChem CID28714219
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
SMILESCC(C)(C)c1nc2ccc(NCc3ccncc3)cc2[nH]1
InChIInChI=1S/C17H20N4/c1-17(2,3)16-20-14-5-4-13(10-15(14)21-16)19-11-12-6-8-18-9-7-12/h4-10,19H,11H2,1-3H3,(H,20,21)
InChIKeyNPZDAARINZUABB-UHFFFAOYSA-N
XLogP3.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine (CID 28714219) is 2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine is CC(C)(C)c1nc2ccc(NCc3ccncc3)cc2[nH]1.
What is the InChIKey of 2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine?
The InChIKey is NPZDAARINZUABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-17(2,3)16-20-14-5-4-13(10-15(14)21-16)19-11-12-6-8-18-9-7-12/h4-10,19H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine?
2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine has a molecular weight of 280.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 28714219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).