1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea

C19H20N4O2 — CID 94800208

IUPAC1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
SMILESCOc1cccc(NC(=O)NCc2ccccc2-n2ccnc2C)c1
InChIInChI=1S/C19H20N4O2/c1-14-20-10-11-23(14)18-9-4-3-6-15(18)13-21-19(24)22-16-7-5-8-17(12-16)25-2/h3-12H,13H2,1-2H3,(H2,21,22,24)
InChIKeyPJLMFELXTFXSNE-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.51
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea

1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea (PubChem CID 94800208) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
PubChem CID94800208
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
SMILESCOc1cccc(NC(=O)NCc2ccccc2-n2ccnc2C)c1
InChIInChI=1S/C19H20N4O2/c1-14-20-10-11-23(14)18-9-4-3-6-15(18)13-21-19(24)22-16-7-5-8-17(12-16)25-2/h3-12H,13H2,1-2H3,(H2,21,22,24)
InChIKeyPJLMFELXTFXSNE-UHFFFAOYSA-N
XLogP3.51
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]thiourea
CID 100636951
3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28568439
1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
CID 47085409
1-(3-methoxyphenyl)-3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea
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(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 92675979
3,5-dichloro-4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 51126235
1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 94516313
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 42029830
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methoxyphenyl)urea
CID 122252739
1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 6463833
1-(3-methoxyphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86924588

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea (CID 94800208) is 1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea is COc1cccc(NC(=O)NCc2ccccc2-n2ccnc2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea?
The InChIKey is PJLMFELXTFXSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-20-10-11-23(14)18-9-4-3-6-15(18)13-21-19(24)22-16-7-5-8-17(12-16)25-2/h3-12H,13H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea?
1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea has a molecular weight of 336.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea is sourced from PubChem (CID 94800208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).