N-(2,6-dibromophenyl)-N-phenyl-1H-benzimidazol-2-amine

C19H13Br2N3 — CID 126746904

IUPACN-(2,6-dibromophenyl)-N-phenyl-1H-benzimidazol-2-amine
SMILESBrc1cccc(Br)c1N(c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H13Br2N3/c20-14-9-6-10-15(21)18(14)24(13-7-2-1-3-8-13)19-22-16-11-4-5-12-17(16)23-19/h1-12H,(H,22,23)
InChIKeyRXUGOJRUSXJQGD-UHFFFAOYSA-N
MW443.14 g/mol
LogP6.56
Rot. Bonds3

About N-(2,6-dibromophenyl)-N-phenyl-1H-benzimidazol-2-amine

N-(2,6-dibromophenyl)-N-phenyl-1H-benzimidazol-2-amine (PubChem CID 126746904) has the molecular formula C19H13Br2N3 and a molecular weight of 443.14 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-N-phenyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-N-phenyl-1H-benzimidazol-2-amine
PubChem CID126746904
Molecular FormulaC19H13Br2N3
Molecular Weight443.14 g/mol
Exact Mass440.95
IUPAC NameN-(2,6-dibromophenyl)-N-phenyl-1H-benzimidazol-2-amine
SMILESBrc1cccc(Br)c1N(c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H13Br2N3/c20-14-9-6-10-15(21)18(14)24(13-7-2-1-3-8-13)19-22-16-11-4-5-12-17(16)23-19/h1-12H,(H,22,23)
InChIKeyRXUGOJRUSXJQGD-UHFFFAOYSA-N
XLogP6.56
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.14
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,6-dibromophenyl)-N-phenyl-1H-benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-N-phenyl-1H-benzimidazol-2-amine?
The IUPAC name of N-(2,6-dibromophenyl)-N-phenyl-1H-benzimidazol-2-amine (CID 126746904) is N-(2,6-dibromophenyl)-N-phenyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2,6-dibromophenyl)-N-phenyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2,6-dibromophenyl)-N-phenyl-1H-benzimidazol-2-amine is Brc1cccc(Br)c1N(c1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-(2,6-dibromophenyl)-N-phenyl-1H-benzimidazol-2-amine?
The InChIKey is RXUGOJRUSXJQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Br2N3/c20-14-9-6-10-15(21)18(14)24(13-7-2-1-3-8-13)19-22-16-11-4-5-12-17(16)23-19/h1-12H,(H,22,23).
What are the key properties of N-(2,6-dibromophenyl)-N-phenyl-1H-benzimidazol-2-amine?
N-(2,6-dibromophenyl)-N-phenyl-1H-benzimidazol-2-amine has a molecular weight of 443.14 g/mol, XLogP of 6.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-N-phenyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 126746904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).