4,5,6,7-tetrabromo-N,N-dimethyl-2,3-dihydro-1H-benzimidazol-2-amine

C9H9Br4N3 — CID 59202082

IUPAC4,5,6,7-tetrabromo-N,N-dimethyl-2,3-dihydro-1H-benzimidazol-2-amine
SMILESCN(C)C1Nc2c(Br)c(Br)c(Br)c(Br)c2N1
InChIInChI=1S/C9H9Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h9,14-15H,1-2H3
InChIKeyXGNDPWQRYOJJPX-UHFFFAOYSA-N
MW478.81 g/mol
LogP4.42
Rot. Bonds1

About 4,5,6,7-tetrabromo-N,N-dimethyl-2,3-dihydro-1H-benzimidazol-2-amine

4,5,6,7-tetrabromo-N,N-dimethyl-2,3-dihydro-1H-benzimidazol-2-amine (PubChem CID 59202082) has the molecular formula C9H9Br4N3 and a molecular weight of 478.81 g/mol. Its IUPAC name is 4,5,6,7-tetrabromo-N,N-dimethyl-2,3-dihydro-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4,5,6,7-tetrabromo-N,N-dimethyl-2,3-dihydro-1H-benzimidazol-2-amine
PubChem CID59202082
Molecular FormulaC9H9Br4N3
Molecular Weight478.81 g/mol
Exact Mass474.75
IUPAC Name4,5,6,7-tetrabromo-N,N-dimethyl-2,3-dihydro-1H-benzimidazol-2-amine
SMILESCN(C)C1Nc2c(Br)c(Br)c(Br)c(Br)c2N1
InChIInChI=1S/C9H9Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h9,14-15H,1-2H3
InChIKeyXGNDPWQRYOJJPX-UHFFFAOYSA-N
XLogP4.42
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.81
LogP ≤ 54.42
H-Bond Donors ≤ 52
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-N,N-dimethyl-2,3-dihydro-1H-benzimidazol-2-amine?
The IUPAC name of 4,5,6,7-tetrabromo-N,N-dimethyl-2,3-dihydro-1H-benzimidazol-2-amine (CID 59202082) is 4,5,6,7-tetrabromo-N,N-dimethyl-2,3-dihydro-1H-benzimidazol-2-amine.
What is the SMILES notation for 4,5,6,7-tetrabromo-N,N-dimethyl-2,3-dihydro-1H-benzimidazol-2-amine?
The canonical SMILES for 4,5,6,7-tetrabromo-N,N-dimethyl-2,3-dihydro-1H-benzimidazol-2-amine is CN(C)C1Nc2c(Br)c(Br)c(Br)c(Br)c2N1.
What is the InChIKey of 4,5,6,7-tetrabromo-N,N-dimethyl-2,3-dihydro-1H-benzimidazol-2-amine?
The InChIKey is XGNDPWQRYOJJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h9,14-15H,1-2H3.
What are the key properties of 4,5,6,7-tetrabromo-N,N-dimethyl-2,3-dihydro-1H-benzimidazol-2-amine?
4,5,6,7-tetrabromo-N,N-dimethyl-2,3-dihydro-1H-benzimidazol-2-amine has a molecular weight of 478.81 g/mol, XLogP of 4.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrabromo-N,N-dimethyl-2,3-dihydro-1H-benzimidazol-2-amine is sourced from PubChem (CID 59202082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).