5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one

C14H12BrN3O — CID 43186832

IUPAC5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1ccc(Br)cc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H12BrN3O/c15-10-4-1-8(2-5-10)13(16)9-3-6-11-12(7-9)18-14(19)17-11/h1-7,13H,16H2,(H2,17,18,19)
InChIKeyNGAPARVIMULNSQ-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.67
Rot. Bonds2

About 5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one

5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43186832) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43186832
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1ccc(Br)cc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H12BrN3O/c15-10-4-1-8(2-5-10)13(16)9-3-6-11-12(7-9)18-14(19)17-11/h1-7,13H,16H2,(H2,17,18,19)
InChIKeyNGAPARVIMULNSQ-UHFFFAOYSA-N
XLogP2.67
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-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

Related Compounds

5-[amino-(3,5-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186862
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-[chloro-(3,5-dibromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 107980822
5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186872
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993
5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186829
5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61097913
5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186842
5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 62375735
6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43823405
5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 63048076

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 43186832) is 5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one is NC(c1ccc(Br)cc1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NGAPARVIMULNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c15-10-4-1-8(2-5-10)13(16)9-3-6-11-12(7-9)18-14(19)17-11/h1-7,13H,16H2,(H2,17,18,19).
What are the key properties of 5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 318.17 g/mol, XLogP of 2.67, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43186832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).