[5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea

C11H11BrN4O — CID 143516652

IUPAC[5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea
SMILESNC(=O)NCc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C11H11BrN4O/c12-8-3-1-7(2-4-8)9-5-14-10(16-9)6-15-11(13)17/h1-5H,6H2,(H,14,16)(H3,13,15,17)
InChIKeyVCNPMSMZKLRLTB-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.01
Rot. Bonds3

About [5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea

[5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea (PubChem CID 143516652) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is [5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea.

Molecular Properties

Compound Name[5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea
PubChem CID143516652
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name[5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea
SMILESNC(=O)NCc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C11H11BrN4O/c12-8-3-1-7(2-4-8)9-5-14-10(16-9)6-15-11(13)17/h1-5H,6H2,(H,14,16)(H3,13,15,17)
InChIKeyVCNPMSMZKLRLTB-UHFFFAOYSA-N
XLogP2.01
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea 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

2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 67370873
methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 116880250
3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]propan-1-ol
CID 111118388
ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 11953523
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol
CID 111421674
4-[[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962048
3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol
CID 111449262
tert-butyl N-[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]butyl]carbamate
CID 91372126
[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid
CID 143516405
bis(5-(4-bromophenyl)-1H-imidazol-2-amine);sulfuric acid
CID 121229057
tert-butyl N-[[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]methyl]carbamate
CID 102970557
ethyl 2-[4-[2-[(diaminomethylidenecarbamoylamino)methyl]-1H-imidazol-5-yl]phenoxy]acetate
CID 143516284

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea?
The IUPAC name of [5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea (CID 143516652) is [5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea.
What is the SMILES notation for [5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea?
The canonical SMILES for [5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea is NC(=O)NCc1ncc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of [5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea?
The InChIKey is VCNPMSMZKLRLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c12-8-3-1-7(2-4-8)9-5-14-10(16-9)6-15-11(13)17/h1-5H,6H2,(H,14,16)(H3,13,15,17).
What are the key properties of [5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea?
[5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea has a molecular weight of 295.14 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea is sourced from PubChem (CID 143516652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).