3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea

C27H27BrN4O2 — CID 42699799

IUPAC3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
SMILESO=C(Nc1ccc(Br)cc1)N(CCCn1ccnc1)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H27BrN4O2/c28-24-9-11-25(12-10-24)30-27(33)32(17-4-16-31-18-15-29-21-31)19-22-7-13-26(14-8-22)34-20-23-5-2-1-3-6-23/h1-3,5-15,18,21H,4,16-17,19-20H2,(H,30,33)
InChIKeyMEFCMRUMQHDTJY-UHFFFAOYSA-N
MW519.44 g/mol
LogP6.35
Rot. Bonds10

About 3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea

3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea (PubChem CID 42699799) has the molecular formula C27H27BrN4O2 and a molecular weight of 519.44 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
PubChem CID42699799
Molecular FormulaC27H27BrN4O2
Molecular Weight519.44 g/mol
Exact Mass518.13
IUPAC Name3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
SMILESO=C(Nc1ccc(Br)cc1)N(CCCn1ccnc1)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H27BrN4O2/c28-24-9-11-25(12-10-24)30-27(33)32(17-4-16-31-18-15-29-21-31)19-22-7-13-26(14-8-22)34-20-23-5-2-1-3-6-23/h1-3,5-15,18,21H,4,16-17,19-20H2,(H,30,33)
InChIKeyMEFCMRUMQHDTJY-UHFFFAOYSA-N
XLogP6.35
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.44
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]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

3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42699795
1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea
CID 47023595
1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42701155
1-(3-imidazol-1-ylpropyl)-1-[(4-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 42699785
1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea
CID 55766950
2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788
1-(2-morpholin-4-ylethyl)-1-[(4-phenylmethoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 42698254
3-(3,5-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea
CID 3392125
N-[(4-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-1-benzothiophene-3-carboxamide
CID 112805655
3-(3,4-dichlorophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(2-methoxyphenyl)methyl]urea
CID 4204238
1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole
CID 2995500
1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-imidazol-1-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 59826138

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea?
The IUPAC name of 3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea (CID 42699799) is 3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea.
What is the SMILES notation for 3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea?
The canonical SMILES for 3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea is O=C(Nc1ccc(Br)cc1)N(CCCn1ccnc1)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea?
The InChIKey is MEFCMRUMQHDTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27BrN4O2/c28-24-9-11-25(12-10-24)30-27(33)32(17-4-16-31-18-15-29-21-31)19-22-7-13-26(14-8-22)34-20-23-5-2-1-3-6-23/h1-3,5-15,18,21H,4,16-17,19-20H2,(H,30,33).
What are the key properties of 3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea?
3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea has a molecular weight of 519.44 g/mol, XLogP of 6.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea is sourced from PubChem (CID 42699799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).