1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea

C18H18N4O2 — CID 24855667

IUPAC1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCc2ccccc2)ccc1-n1ccnc1
InChIInChI=1S/C18H18N4O2/c1-24-17-11-15(7-8-16(17)22-10-9-19-13-22)21-18(23)20-12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H2,20,21,23)
InChIKeyXJXRSZPGOCURFQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.20
Rot. Bonds5

About 1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea

1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea (PubChem CID 24855667) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea
PubChem CID24855667
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCc2ccccc2)ccc1-n1ccnc1
InChIInChI=1S/C18H18N4O2/c1-24-17-11-15(7-8-16(17)22-10-9-19-13-22)21-18(23)20-12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H2,20,21,23)
InChIKeyXJXRSZPGOCURFQ-UHFFFAOYSA-N
XLogP3.20
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 112835925
1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea
CID 24855735
methyl N-[4-[[(2-imidazol-1-ylphenyl)methylcarbamoylamino]methyl]phenyl]carbamate
CID 86838396
1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 136578950
1-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833
1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 55472347
1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 171697953
1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea
CID 55793735
1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea
CID 142000111
N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 86987887
1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea
CID 71970578
1-[(4-bromophenyl)methyl]-3-(3,4-dimethoxyphenyl)urea
CID 108866298

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea?
The IUPAC name of 1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea (CID 24855667) is 1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea?
The canonical SMILES for 1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea is COc1cc(NC(=O)NCc2ccccc2)ccc1-n1ccnc1.
What is the InChIKey of 1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea?
The InChIKey is XJXRSZPGOCURFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-17-11-15(7-8-16(17)22-10-9-19-13-22)21-18(23)20-12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H2,20,21,23).
What are the key properties of 1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea?
1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea has a molecular weight of 322.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea is sourced from PubChem (CID 24855667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).