4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine

C9H7Br4N3 — CID 5326976

IUPAC4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine
SMILESCN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
InChIInChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15)
InChIKeySLPJGDQJLTYWCI-UHFFFAOYSA-N
MW476.79 g/mol
LogP4.68
Rot. Bonds1

About 4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine

4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine (PubChem CID 5326976) has the molecular formula C9H7Br4N3 and a molecular weight of 476.79 g/mol. Its IUPAC name is 4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine
PubChem CID5326976
Molecular FormulaC9H7Br4N3
Molecular Weight476.79 g/mol
Exact Mass472.74
IUPAC Name4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine
SMILESCN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
InChIInChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15)
InChIKeySLPJGDQJLTYWCI-UHFFFAOYSA-N
XLogP4.68
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.79
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-N,N-dimethyl-1H-benzimidazol-2-amine?
The IUPAC name of 4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine (CID 5326976) is 4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine.
What is the SMILES notation for 4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine?
The canonical SMILES for 4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine is CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1.
What is the InChIKey of 4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine?
The InChIKey is SLPJGDQJLTYWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15).
What are the key properties of 4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine?
4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine has a molecular weight of 476.79 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 5326976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).