1-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine

C16H21BrN4 — CID 84646913

IUPAC1-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine
SMILESCNCc1c(Br)n2c3cccc(C(C)(C)C)c3nc2n1C
InChIInChI=1S/C16H21BrN4/c1-16(2,3)10-7-6-8-11-13(10)19-15-20(5)12(9-18-4)14(17)21(11)15/h6-8,18H,9H2,1-5H3
InChIKeyDRVMPTFPLUCHPD-UHFFFAOYSA-N
MW349.28 g/mol
LogP3.61
Rot. Bonds2

About 1-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine

1-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine (PubChem CID 84646913) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is 1-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine
PubChem CID84646913
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name1-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine
SMILESCNCc1c(Br)n2c3cccc(C(C)(C)C)c3nc2n1C
InChIInChI=1S/C16H21BrN4/c1-16(2,3)10-7-6-8-11-13(10)19-15-20(5)12(9-18-4)14(17)21(11)15/h6-8,18H,9H2,1-5H3
InChIKeyDRVMPTFPLUCHPD-UHFFFAOYSA-N
XLogP3.61
TPSA34.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine (CID 84646913) is 1-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine is CNCc1c(Br)n2c3cccc(C(C)(C)C)c3nc2n1C.
What is the InChIKey of 1-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine?
The InChIKey is DRVMPTFPLUCHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-16(2,3)10-7-6-8-11-13(10)19-15-20(5)12(9-18-4)14(17)21(11)15/h6-8,18H,9H2,1-5H3.
What are the key properties of 1-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine?
1-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine has a molecular weight of 349.28 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 84646913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).