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

C7H3Br4N3 — CID 11224695

IUPAC4,5,6,7-tetrabromo-1H-benzimidazol-2-amine
SMILESNc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
InChIInChI=1S/C7H3Br4N3/c8-1-2(9)4(11)6-5(3(1)10)13-7(12)14-6/h(H3,12,13,14)
InChIKeyWPQXWZSBYPCXKC-UHFFFAOYSA-N
MW448.74 g/mol
LogP4.20
Rot. Bonds

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

4,5,6,7-tetrabromo-1H-benzimidazol-2-amine (PubChem CID 11224695) has the molecular formula C7H3Br4N3 and a molecular weight of 448.74 g/mol. Its IUPAC name is 4,5,6,7-tetrabromo-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4,5,6,7-tetrabromo-1H-benzimidazol-2-amine
PubChem CID11224695
Molecular FormulaC7H3Br4N3
Molecular Weight448.74 g/mol
Exact Mass444.71
IUPAC Name4,5,6,7-tetrabromo-1H-benzimidazol-2-amine
SMILESNc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
InChIInChI=1S/C7H3Br4N3/c8-1-2(9)4(11)6-5(3(1)10)13-7(12)14-6/h(H3,12,13,14)
InChIKeyWPQXWZSBYPCXKC-UHFFFAOYSA-N
XLogP4.20
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.74
LogP ≤ 54.20
H-Bond Donors ≤ 52
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-1H-benzimidazol-2-amine?
The IUPAC name of 4,5,6,7-tetrabromo-1H-benzimidazol-2-amine (CID 11224695) is 4,5,6,7-tetrabromo-1H-benzimidazol-2-amine.
What is the SMILES notation for 4,5,6,7-tetrabromo-1H-benzimidazol-2-amine?
The canonical SMILES for 4,5,6,7-tetrabromo-1H-benzimidazol-2-amine is Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1.
What is the InChIKey of 4,5,6,7-tetrabromo-1H-benzimidazol-2-amine?
The InChIKey is WPQXWZSBYPCXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br4N3/c8-1-2(9)4(11)6-5(3(1)10)13-7(12)14-6/h(H3,12,13,14).
What are the key properties of 4,5,6,7-tetrabromo-1H-benzimidazol-2-amine?
4,5,6,7-tetrabromo-1H-benzimidazol-2-amine has a molecular weight of 448.74 g/mol, XLogP of 4.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrabromo-1H-benzimidazol-2-amine is sourced from PubChem (CID 11224695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).