3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea

C20H22N4O2 — CID 86850598

IUPAC3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccc(CN(C)C(=O)NCc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C20H22N4O2/c1-23(14-17-5-9-19(26-2)10-6-17)20(25)22-13-16-3-7-18(8-4-16)24-12-11-21-15-24/h3-12,15H,13-14H2,1-2H3,(H,22,25)
InChIKeyMWXNONHVYBUGRN-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.22
Rot. Bonds6

About 3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea

3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea (PubChem CID 86850598) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
PubChem CID86850598
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccc(CN(C)C(=O)NCc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C20H22N4O2/c1-23(14-17-5-9-19(26-2)10-6-17)20(25)22-13-16-3-7-18(8-4-16)24-12-11-21-15-24/h3-12,15H,13-14H2,1-2H3,(H,22,25)
InChIKeyMWXNONHVYBUGRN-UHFFFAOYSA-N
XLogP3.22
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
(E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92675033
N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 55795743
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 92680776
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 28574947
methyl 2-[(4-imidazol-1-ylphenyl)methyl-methylamino]acetate
CID 60698042
N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 60593455
(E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide
CID 41200443
3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 48962776
1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 86850595
2-(4-fluorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 132760959
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99957374

Frequently Asked Questions

What is the IUPAC name of 3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea?
The IUPAC name of 3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea (CID 86850598) is 3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea?
The canonical SMILES for 3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea is COc1ccc(CN(C)C(=O)NCc2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of 3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea?
The InChIKey is MWXNONHVYBUGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23(14-17-5-9-19(26-2)10-6-17)20(25)22-13-16-3-7-18(8-4-16)24-12-11-21-15-24/h3-12,15H,13-14H2,1-2H3,(H,22,25).
What are the key properties of 3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea?
3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea has a molecular weight of 350.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea is sourced from PubChem (CID 86850598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).