1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea

C12H11BrN2OS — CID 108889261

IUPAC1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea
SMILESO=C(NCc1ccc(Br)cc1)Nc1cccs1
InChIInChI=1S/C12H11BrN2OS/c13-10-5-3-9(4-6-10)8-14-12(16)15-11-2-1-7-17-11/h1-7H,8H2,(H2,14,15,16)
InChIKeyNZOLIXUHBBMMIO-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.83
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea

1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea (PubChem CID 108889261) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea
PubChem CID108889261
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea
SMILESO=C(NCc1ccc(Br)cc1)Nc1cccs1
InChIInChI=1S/C12H11BrN2OS/c13-10-5-3-9(4-6-10)8-14-12(16)15-11-2-1-7-17-11/h1-7H,8H2,(H2,14,15,16)
InChIKeyNZOLIXUHBBMMIO-UHFFFAOYSA-N
XLogP3.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-thiophen-2-ylurea
CID 108889102
1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea
CID 20886027
1-[(4-bromophenyl)methyl]-3-(2,6-difluorophenyl)urea
CID 108899456
1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea
CID 91816080
1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
CID 60968991
1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea
CID 108894670
2-[4-[(4-bromophenyl)methylcarbamoylamino]phenyl]acetic acid
CID 108899454
1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108899435
1-[(4-bromophenyl)methyl]-3-(4-tert-butylphenyl)urea
CID 108884917
1-[(4-bromophenyl)methyl]-3-(2-oxopropyl)urea
CID 117235576
1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea
CID 117235648
1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea
CID 58044673

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea (CID 108889261) is 1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea is O=C(NCc1ccc(Br)cc1)Nc1cccs1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea?
The InChIKey is NZOLIXUHBBMMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c13-10-5-3-9(4-6-10)8-14-12(16)15-11-2-1-7-17-11/h1-7H,8H2,(H2,14,15,16).
What are the key properties of 1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea?
1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea has a molecular weight of 311.20 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 108889261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).