1-(4-butylphenyl)-3-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]urea

C29H32N4O2 — CID 59641890

IUPAC1-(4-butylphenyl)-3-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]urea
SMILESCCCCc1ccc(NC(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H32N4O2/c1-3-4-8-21-11-15-24(16-12-21)31-29(34)30-20-19-26-27(22-13-17-25(35-2)18-14-22)33-28(32-26)23-9-6-5-7-10-23/h5-7,9-18H,3-4,8,19-20H2,1-2H3,(H,32,33)(H2,30,31,34)
InChIKeyGPPADBKHHYQDFV-UHFFFAOYSA-N
MW468.60 g/mol
LogP6.46
Rot. Bonds10

About 1-(4-butylphenyl)-3-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]urea

1-(4-butylphenyl)-3-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]urea (PubChem CID 59641890) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]urea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]urea
PubChem CID59641890
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name1-(4-butylphenyl)-3-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]urea
SMILESCCCCc1ccc(NC(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H32N4O2/c1-3-4-8-21-11-15-24(16-12-21)31-29(34)30-20-19-26-27(22-13-17-25(35-2)18-14-22)33-28(32-26)23-9-6-5-7-10-23/h5-7,9-18H,3-4,8,19-20H2,1-2H3,(H,32,33)(H2,30,31,34)
InChIKeyGPPADBKHHYQDFV-UHFFFAOYSA-N
XLogP6.46
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 56.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]urea?
The IUPAC name of 1-(4-butylphenyl)-3-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]urea (CID 59641890) is 1-(4-butylphenyl)-3-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]urea.
What is the SMILES notation for 1-(4-butylphenyl)-3-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]urea?
The canonical SMILES for 1-(4-butylphenyl)-3-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]urea is CCCCc1ccc(NC(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]urea?
The InChIKey is GPPADBKHHYQDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-3-4-8-21-11-15-24(16-12-21)31-29(34)30-20-19-26-27(22-13-17-25(35-2)18-14-22)33-28(32-26)23-9-6-5-7-10-23/h5-7,9-18H,3-4,8,19-20H2,1-2H3,(H,32,33)(H2,30,31,34).
What are the key properties of 1-(4-butylphenyl)-3-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]urea?
1-(4-butylphenyl)-3-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]urea has a molecular weight of 468.60 g/mol, XLogP of 6.46, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]urea is sourced from PubChem (CID 59641890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).