4,5,6,7-tetrabromo-1-methyl-N-propan-2-ylbenzimidazol-2-amine

C11H11Br4N3 — CID 11341102

IUPAC4,5,6,7-tetrabromo-1-methyl-N-propan-2-ylbenzimidazol-2-amine
SMILESCC(C)Nc1nc2c(Br)c(Br)c(Br)c(Br)c2n1C
InChIInChI=1S/C11H11Br4N3/c1-4(2)16-11-17-9-7(14)5(12)6(13)8(15)10(9)18(11)3/h4H,1-3H3,(H,16,17)
InChIKeyIFDSLYJBXAHOHI-UHFFFAOYSA-N
MW504.85 g/mol
LogP5.44
Rot. Bonds2

About 4,5,6,7-tetrabromo-1-methyl-N-propan-2-ylbenzimidazol-2-amine

4,5,6,7-tetrabromo-1-methyl-N-propan-2-ylbenzimidazol-2-amine (PubChem CID 11341102) has the molecular formula C11H11Br4N3 and a molecular weight of 504.85 g/mol. Its IUPAC name is 4,5,6,7-tetrabromo-1-methyl-N-propan-2-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name4,5,6,7-tetrabromo-1-methyl-N-propan-2-ylbenzimidazol-2-amine
PubChem CID11341102
Molecular FormulaC11H11Br4N3
Molecular Weight504.85 g/mol
Exact Mass500.77
IUPAC Name4,5,6,7-tetrabromo-1-methyl-N-propan-2-ylbenzimidazol-2-amine
SMILESCC(C)Nc1nc2c(Br)c(Br)c(Br)c(Br)c2n1C
InChIInChI=1S/C11H11Br4N3/c1-4(2)16-11-17-9-7(14)5(12)6(13)8(15)10(9)18(11)3/h4H,1-3H3,(H,16,17)
InChIKeyIFDSLYJBXAHOHI-UHFFFAOYSA-N
XLogP5.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.85
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrabromo-1-methyl-N-propan-2-ylbenzimidazol-2-amine?
The IUPAC name of 4,5,6,7-tetrabromo-1-methyl-N-propan-2-ylbenzimidazol-2-amine (CID 11341102) is 4,5,6,7-tetrabromo-1-methyl-N-propan-2-ylbenzimidazol-2-amine.
What is the SMILES notation for 4,5,6,7-tetrabromo-1-methyl-N-propan-2-ylbenzimidazol-2-amine?
The canonical SMILES for 4,5,6,7-tetrabromo-1-methyl-N-propan-2-ylbenzimidazol-2-amine is CC(C)Nc1nc2c(Br)c(Br)c(Br)c(Br)c2n1C.
What is the InChIKey of 4,5,6,7-tetrabromo-1-methyl-N-propan-2-ylbenzimidazol-2-amine?
The InChIKey is IFDSLYJBXAHOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br4N3/c1-4(2)16-11-17-9-7(14)5(12)6(13)8(15)10(9)18(11)3/h4H,1-3H3,(H,16,17).
What are the key properties of 4,5,6,7-tetrabromo-1-methyl-N-propan-2-ylbenzimidazol-2-amine?
4,5,6,7-tetrabromo-1-methyl-N-propan-2-ylbenzimidazol-2-amine has a molecular weight of 504.85 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrabromo-1-methyl-N-propan-2-ylbenzimidazol-2-amine is sourced from PubChem (CID 11341102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).