5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one

C17H15BrN4O — CID 155460552

IUPAC5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(Cn3cnc4cc(Br)ccc43)ccc21
InChIInChI=1S/C17H15BrN4O/c1-20-15-5-3-11(7-16(15)21(2)17(20)23)9-22-10-19-13-8-12(18)4-6-14(13)22/h3-8,10H,9H2,1-2H3
InChIKeyFUYVCTPZNHGECW-UHFFFAOYSA-N
MW371.24 g/mol
LogP3.04
Rot. Bonds2

About 5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one

5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 155460552) has the molecular formula C17H15BrN4O and a molecular weight of 371.24 g/mol. Its IUPAC name is 5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID155460552
Molecular FormulaC17H15BrN4O
Molecular Weight371.24 g/mol
Exact Mass370.04
IUPAC Name5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(Cn3cnc4cc(Br)ccc43)ccc21
InChIInChI=1S/C17H15BrN4O/c1-20-15-5-3-11(7-16(15)21(2)17(20)23)9-22-10-19-13-8-12(18)4-6-14(13)22/h3-8,10H,9H2,1-2H3
InChIKeyFUYVCTPZNHGECW-UHFFFAOYSA-N
XLogP3.04
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one 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 5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one (CID 155460552) is 5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(Cn3cnc4cc(Br)ccc43)ccc21.
What is the InChIKey of 5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is FUYVCTPZNHGECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O/c1-20-15-5-3-11(7-16(15)21(2)17(20)23)9-22-10-19-13-8-12(18)4-6-14(13)22/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 371.24 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 155460552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).