1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea

C20H22N4O2 — CID 172505495

IUPAC1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea
SMILESCONC(=O)Nc1cccc(C(c2cnc[nH]2)c2cccc(C)c2C)c1
InChIInChI=1S/C20H22N4O2/c1-13-6-4-9-17(14(13)2)19(18-11-21-12-22-18)15-7-5-8-16(10-15)23-20(25)24-26-3/h4-12,19H,1-3H3,(H,21,22)(H2,23,24,25)
InChIKeyINOPCMRBAJNZMR-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.89
Rot. Bonds5

About 1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea

1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea (PubChem CID 172505495) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea.

Molecular Properties

Compound Name1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea
PubChem CID172505495
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea
SMILESCONC(=O)Nc1cccc(C(c2cnc[nH]2)c2cccc(C)c2C)c1
InChIInChI=1S/C20H22N4O2/c1-13-6-4-9-17(14(13)2)19(18-11-21-12-22-18)15-7-5-8-16(10-15)23-20(25)24-26-3/h4-12,19H,1-3H3,(H,21,22)(H2,23,24,25)
InChIKeyINOPCMRBAJNZMR-UHFFFAOYSA-N
XLogP3.89
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]adamantane-2-carboxamide
CID 172505517
3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]aniline;methoxy(methyl)phosphane
CID 176560130
3-[1H-imidazol-5-yl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]-N-methoxybenzamide
CID 172505628
[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 172505823
N-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide
CID 172505752
3-[[3-[3-[[2-hydroxy-3-(methoxycarbamoyl)phenyl]-(1H-imidazol-5-yl)methyl]-2-methylphenyl]-2-methylphenyl]-(1H-imidazol-5-yl)methyl]benzoic acid
CID 176560019
N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-1-(oxan-2-yl)methanesulfonamide
CID 172505832
N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-3-fluorophenyl]acetamide
CID 172505573
4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine
CID 25121395
N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]-2-fluorophenyl]methanesulfonamide
CID 176560035
5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;formic acid
CID 155150082
5-[bis(2-methylphenyl)methyl]-1H-imidazole
CID 13071795

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea?
The IUPAC name of 1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea (CID 172505495) is 1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea.
What is the SMILES notation for 1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea?
The canonical SMILES for 1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea is CONC(=O)Nc1cccc(C(c2cnc[nH]2)c2cccc(C)c2C)c1.
What is the InChIKey of 1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea?
The InChIKey is INOPCMRBAJNZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-6-4-9-17(14(13)2)19(18-11-21-12-22-18)15-7-5-8-16(10-15)23-20(25)24-26-3/h4-12,19H,1-3H3,(H,21,22)(H2,23,24,25).
What are the key properties of 1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea?
1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea has a molecular weight of 350.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea is sourced from PubChem (CID 172505495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).