1-(2-methoxyphenyl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea

C18H18N4O2 — CID 47053460

IUPAC1-(2-methoxyphenyl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea
SMILESCOc1ccccc1NC(=O)NCc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H18N4O2/c1-24-16-10-6-5-9-14(16)22-18(23)20-12-17-19-11-15(21-17)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,19,21)(H2,20,22,23)
InChIKeyCDEMQYRIHUHGCQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.41
Rot. Bonds5

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

1-(2-methoxyphenyl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea (PubChem CID 47053460) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea
PubChem CID47053460
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(2-methoxyphenyl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea
SMILESCOc1ccccc1NC(=O)NCc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H18N4O2/c1-24-16-10-6-5-9-14(16)22-18(23)20-12-17-19-11-15(21-17)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,19,21)(H2,20,22,23)
InChIKeyCDEMQYRIHUHGCQ-UHFFFAOYSA-N
XLogP3.41
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea (CID 47053460) is 1-(2-methoxyphenyl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea is COc1ccccc1NC(=O)NCc1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea?
The InChIKey is CDEMQYRIHUHGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-16-10-6-5-9-14(16)22-18(23)20-12-17-19-11-15(21-17)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,19,21)(H2,20,22,23).
What are the key properties of 1-(2-methoxyphenyl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea?
1-(2-methoxyphenyl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea has a molecular weight of 322.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea is sourced from PubChem (CID 47053460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).