1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea

C25H21BrN4O — CID 66962975

IUPAC1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)NC(c1cccc(Br)c1)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C25H21BrN4O/c26-21-10-4-7-18(15-21)24(30-25(31)29-22-11-2-1-3-12-22)23(19-8-5-13-27-16-19)20-9-6-14-28-17-20/h1-17,23-24H,(H2,29,30,31)
InChIKeyACWMBXNRWZXAEV-UHFFFAOYSA-N
MW473.37 g/mol
LogP5.93
Rot. Bonds6

About 1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea

1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea (PubChem CID 66962975) has the molecular formula C25H21BrN4O and a molecular weight of 473.37 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea
PubChem CID66962975
Molecular FormulaC25H21BrN4O
Molecular Weight473.37 g/mol
Exact Mass472.09
IUPAC Name1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)NC(c1cccc(Br)c1)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C25H21BrN4O/c26-21-10-4-7-18(15-21)24(30-25(31)29-22-11-2-1-3-12-22)23(19-8-5-13-27-16-19)20-9-6-14-28-17-20/h1-17,23-24H,(H2,29,30,31)
InChIKeyACWMBXNRWZXAEV-UHFFFAOYSA-N
XLogP5.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.37
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea 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-(3-bromoanilino)-2-pyridin-3-ylacetic acid
CID 54890309
1-benzhydryl-3-pyridin-3-ylurea
CID 108864958
1-benzyl-3-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]urea
CID 66962978
1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine
CID 57425763
(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide
CID 2450506
1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
CID 23996231
1-(3-bromophenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801378
N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide
CID 122158945
1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452513
1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 41430623
1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
CID 27734199
1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139230

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea?
The IUPAC name of 1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea (CID 66962975) is 1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea.
What is the SMILES notation for 1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea?
The canonical SMILES for 1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea is O=C(Nc1ccccc1)NC(c1cccc(Br)c1)C(c1cccnc1)c1cccnc1.
What is the InChIKey of 1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea?
The InChIKey is ACWMBXNRWZXAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN4O/c26-21-10-4-7-18(15-21)24(30-25(31)29-22-11-2-1-3-12-22)23(19-8-5-13-27-16-19)20-9-6-14-28-17-20/h1-17,23-24H,(H2,29,30,31).
What are the key properties of 1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea?
1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea has a molecular weight of 473.37 g/mol, XLogP of 5.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea is sourced from PubChem (CID 66962975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).