1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea

C19H20N4O2 — CID 71970578

IUPAC1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(C)c(NC(=O)NCc2ccccc2-n2ccnc2)c1
InChIInChI=1S/C19H20N4O2/c1-14-7-8-16(25-2)11-17(14)22-19(24)21-12-15-5-3-4-6-18(15)23-10-9-20-13-23/h3-11,13H,12H2,1-2H3,(H2,21,22,24)
InChIKeySWFFOFCIPMGPGY-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.51
Rot. Bonds5

About 1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea

1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea (PubChem CID 71970578) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea
PubChem CID71970578
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(C)c(NC(=O)NCc2ccccc2-n2ccnc2)c1
InChIInChI=1S/C19H20N4O2/c1-14-7-8-16(25-2)11-17(14)22-19(24)21-12-15-5-3-4-6-18(15)23-10-9-20-13-23/h3-11,13H,12H2,1-2H3,(H2,21,22,24)
InChIKeySWFFOFCIPMGPGY-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-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 136578950
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389
methyl N-[4-[[(2-imidazol-1-ylphenyl)methylcarbamoylamino]methyl]phenyl]carbamate
CID 86838396
N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 132610553
2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 136514293
(2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 28574318
N-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxyphenyl)pyrazolidine-4-carboxamide
CID 78087940
N-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 92679723
N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide
CID 131914367
1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
CID 94800208
1-[(2-imidazol-1-ylphenyl)methyl]-3-[3-(4-methoxyphenyl)butyl]-2-methylguanidine
CID 111640944
1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea
CID 24855667

Frequently Asked Questions

What is the IUPAC name of 1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea?
The IUPAC name of 1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea (CID 71970578) is 1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea.
What is the SMILES notation for 1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea?
The canonical SMILES for 1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea is COc1ccc(C)c(NC(=O)NCc2ccccc2-n2ccnc2)c1.
What is the InChIKey of 1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea?
The InChIKey is SWFFOFCIPMGPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-7-8-16(25-2)11-17(14)22-19(24)21-12-15-5-3-4-6-18(15)23-10-9-20-13-23/h3-11,13H,12H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea?
1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)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-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea is sourced from PubChem (CID 71970578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).