1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one

C19H14BrN3O — CID 135351691

IUPAC1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one
SMILESNc1ccc(Br)cc1-n1c(=O)n(-c2ccccc2)c2ccccc21
InChIInChI=1S/C19H14BrN3O/c20-13-10-11-15(21)18(12-13)23-17-9-5-4-8-16(17)22(19(23)24)14-6-2-1-3-7-14/h1-12H,21H2
InChIKeyVUVRJSWKULAYQD-UHFFFAOYSA-N
MW380.25 g/mol
LogP4.13
Rot. Bonds2

About 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one

1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one (PubChem CID 135351691) has the molecular formula C19H14BrN3O and a molecular weight of 380.25 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one
PubChem CID135351691
Molecular FormulaC19H14BrN3O
Molecular Weight380.25 g/mol
Exact Mass379.03
IUPAC Name1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one
SMILESNc1ccc(Br)cc1-n1c(=O)n(-c2ccccc2)c2ccccc21
InChIInChI=1S/C19H14BrN3O/c20-13-10-11-15(21)18(12-13)23-17-9-5-4-8-16(17)22(19(23)24)14-6-2-1-3-7-14/h1-12H,21H2
InChIKeyVUVRJSWKULAYQD-UHFFFAOYSA-N
XLogP4.13
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one?
The IUPAC name of 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one (CID 135351691) is 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one?
The canonical SMILES for 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one is Nc1ccc(Br)cc1-n1c(=O)n(-c2ccccc2)c2ccccc21.
What is the InChIKey of 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one?
The InChIKey is VUVRJSWKULAYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O/c20-13-10-11-15(21)18(12-13)23-17-9-5-4-8-16(17)22(19(23)24)14-6-2-1-3-7-14/h1-12H,21H2.
What are the key properties of 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one?
1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one has a molecular weight of 380.25 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one is sourced from PubChem (CID 135351691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).