1-(2,3-dibromophenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea

C23H25Br2N3O2 — CID 19064726

IUPAC1-(2,3-dibromophenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea
SMILESCC(C)N1CCC(c2coc3ccc(NC(=O)Nc4cccc(Br)c4Br)cc23)CC1
InChIInChI=1S/C23H25Br2N3O2/c1-14(2)28-10-8-15(9-11-28)18-13-30-21-7-6-16(12-17(18)21)26-23(29)27-20-5-3-4-19(24)22(20)25/h3-7,12-15H,8-11H2,1-2H3,(H2,26,27,29)
InChIKeyQHPAFNQJZTZCEZ-UHFFFAOYSA-N
MW535.28 g/mol
LogP7.19
Rot. Bonds4

About 1-(2,3-dibromophenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea

1-(2,3-dibromophenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea (PubChem CID 19064726) has the molecular formula C23H25Br2N3O2 and a molecular weight of 535.28 g/mol. Its IUPAC name is 1-(2,3-dibromophenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea.

Molecular Properties

Compound Name1-(2,3-dibromophenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea
PubChem CID19064726
Molecular FormulaC23H25Br2N3O2
Molecular Weight535.28 g/mol
Exact Mass533.03
IUPAC Name1-(2,3-dibromophenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea
SMILESCC(C)N1CCC(c2coc3ccc(NC(=O)Nc4cccc(Br)c4Br)cc23)CC1
InChIInChI=1S/C23H25Br2N3O2/c1-14(2)28-10-8-15(9-11-28)18-13-30-21-7-6-16(12-17(18)21)26-23(29)27-20-5-3-4-19(24)22(20)25/h3-7,12-15H,8-11H2,1-2H3,(H2,26,27,29)
InChIKeyQHPAFNQJZTZCEZ-UHFFFAOYSA-N
XLogP7.19
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.28
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dibromophenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea 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-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide
CID 19064672
butyl 2-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoylamino]benzoate
CID 19064548
1-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]-3-phenylurea;2-phenylpropanoic acid
CID 67667885
1-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1H-indol-5-yl]-3-(2,3-dibromophenyl)urea
CID 57290695
N-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride
CID 19064525
butan-2-yl N-phenyl-N-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoyl]carbamate
CID 67620834
1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 6470893
2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide
CID 19064704
1-methyl-4-(5-phenyl-1-benzofuran-3-yl)piperidine
CID 22626810
1-(3-acetylphenyl)-3-[3-(1-pentan-2-ylpiperidin-4-yl)-1-benzothiophen-5-yl]urea;3-phenylpropanoic acid
CID 19064560
4-(1-benzofuran-3-yl)-1-methylpiperidine
CID 20758862
1-(2-bromo-3-iodophenyl)-3-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-indol-5-yl]thiourea
CID 19710013

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dibromophenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea?
The IUPAC name of 1-(2,3-dibromophenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea (CID 19064726) is 1-(2,3-dibromophenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea.
What is the SMILES notation for 1-(2,3-dibromophenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea?
The canonical SMILES for 1-(2,3-dibromophenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea is CC(C)N1CCC(c2coc3ccc(NC(=O)Nc4cccc(Br)c4Br)cc23)CC1.
What is the InChIKey of 1-(2,3-dibromophenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea?
The InChIKey is QHPAFNQJZTZCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Br2N3O2/c1-14(2)28-10-8-15(9-11-28)18-13-30-21-7-6-16(12-17(18)21)26-23(29)27-20-5-3-4-19(24)22(20)25/h3-7,12-15H,8-11H2,1-2H3,(H2,26,27,29).
What are the key properties of 1-(2,3-dibromophenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea?
1-(2,3-dibromophenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea has a molecular weight of 535.28 g/mol, XLogP of 7.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dibromophenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea is sourced from PubChem (CID 19064726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).