2-tert-butyl-1-methyl-N-pyrimidin-2-ylbenzimidazol-5-amine

C16H19N5 — CID 133406780

IUPAC2-tert-butyl-1-methyl-N-pyrimidin-2-ylbenzimidazol-5-amine
SMILESCn1c(C(C)(C)C)nc2cc(Nc3ncccn3)ccc21
InChIInChI=1S/C16H19N5/c1-16(2,3)14-20-12-10-11(6-7-13(12)21(14)4)19-15-17-8-5-9-18-15/h5-10H,1-4H3,(H,17,18,19)
InChIKeyLVABVZCTSZATBN-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.40
Rot. Bonds2

About 2-tert-butyl-1-methyl-N-pyrimidin-2-ylbenzimidazol-5-amine

2-tert-butyl-1-methyl-N-pyrimidin-2-ylbenzimidazol-5-amine (PubChem CID 133406780) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-N-pyrimidin-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-N-pyrimidin-2-ylbenzimidazol-5-amine
PubChem CID133406780
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-tert-butyl-1-methyl-N-pyrimidin-2-ylbenzimidazol-5-amine
SMILESCn1c(C(C)(C)C)nc2cc(Nc3ncccn3)ccc21
InChIInChI=1S/C16H19N5/c1-16(2,3)14-20-12-10-11(6-7-13(12)21(14)4)19-15-17-8-5-9-18-15/h5-10H,1-4H3,(H,17,18,19)
InChIKeyLVABVZCTSZATBN-UHFFFAOYSA-N
XLogP3.40
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-1-methyl-N-pyrimidin-2-ylbenzimidazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methyl-N-pyrimidin-2-ylbenzimidazol-5-amine?
The IUPAC name of 2-tert-butyl-1-methyl-N-pyrimidin-2-ylbenzimidazol-5-amine (CID 133406780) is 2-tert-butyl-1-methyl-N-pyrimidin-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 2-tert-butyl-1-methyl-N-pyrimidin-2-ylbenzimidazol-5-amine?
The canonical SMILES for 2-tert-butyl-1-methyl-N-pyrimidin-2-ylbenzimidazol-5-amine is Cn1c(C(C)(C)C)nc2cc(Nc3ncccn3)ccc21.
What is the InChIKey of 2-tert-butyl-1-methyl-N-pyrimidin-2-ylbenzimidazol-5-amine?
The InChIKey is LVABVZCTSZATBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-16(2,3)14-20-12-10-11(6-7-13(12)21(14)4)19-15-17-8-5-9-18-15/h5-10H,1-4H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-1-methyl-N-pyrimidin-2-ylbenzimidazol-5-amine?
2-tert-butyl-1-methyl-N-pyrimidin-2-ylbenzimidazol-5-amine has a molecular weight of 281.36 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-N-pyrimidin-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 133406780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).