1-[(3-imidazol-1-ylphenyl)methyl]-3-(4-methoxy-4-methylpentan-2-yl)urea

C18H26N4O2 — CID 71990049

IUPAC1-[(3-imidazol-1-ylphenyl)methyl]-3-(4-methoxy-4-methylpentan-2-yl)urea
SMILESCOC(C)(C)CC(C)NC(=O)NCc1cccc(-n2ccnc2)c1
InChIInChI=1S/C18H26N4O2/c1-14(11-18(2,3)24-4)21-17(23)20-12-15-6-5-7-16(10-15)22-9-8-19-13-22/h5-10,13-14H,11-12H2,1-4H3,(H2,20,21,23)
InChIKeyOLZCRBKHVKFYOM-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.88
Rot. Bonds7

About 1-[(3-imidazol-1-ylphenyl)methyl]-3-(4-methoxy-4-methylpentan-2-yl)urea

1-[(3-imidazol-1-ylphenyl)methyl]-3-(4-methoxy-4-methylpentan-2-yl)urea (PubChem CID 71990049) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(3-imidazol-1-ylphenyl)methyl]-3-(4-methoxy-4-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-[(3-imidazol-1-ylphenyl)methyl]-3-(4-methoxy-4-methylpentan-2-yl)urea
PubChem CID71990049
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[(3-imidazol-1-ylphenyl)methyl]-3-(4-methoxy-4-methylpentan-2-yl)urea
SMILESCOC(C)(C)CC(C)NC(=O)NCc1cccc(-n2ccnc2)c1
InChIInChI=1S/C18H26N4O2/c1-14(11-18(2,3)24-4)21-17(23)20-12-15-6-5-7-16(10-15)22-9-8-19-13-22/h5-10,13-14H,11-12H2,1-4H3,(H2,20,21,23)
InChIKeyOLZCRBKHVKFYOM-UHFFFAOYSA-N
XLogP2.88
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-imidazol-1-ylphenyl)methyl]-3-(4-methoxy-4-methylpentan-2-yl)urea?
The IUPAC name of 1-[(3-imidazol-1-ylphenyl)methyl]-3-(4-methoxy-4-methylpentan-2-yl)urea (CID 71990049) is 1-[(3-imidazol-1-ylphenyl)methyl]-3-(4-methoxy-4-methylpentan-2-yl)urea.
What is the SMILES notation for 1-[(3-imidazol-1-ylphenyl)methyl]-3-(4-methoxy-4-methylpentan-2-yl)urea?
The canonical SMILES for 1-[(3-imidazol-1-ylphenyl)methyl]-3-(4-methoxy-4-methylpentan-2-yl)urea is COC(C)(C)CC(C)NC(=O)NCc1cccc(-n2ccnc2)c1.
What is the InChIKey of 1-[(3-imidazol-1-ylphenyl)methyl]-3-(4-methoxy-4-methylpentan-2-yl)urea?
The InChIKey is OLZCRBKHVKFYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14(11-18(2,3)24-4)21-17(23)20-12-15-6-5-7-16(10-15)22-9-8-19-13-22/h5-10,13-14H,11-12H2,1-4H3,(H2,20,21,23).
What are the key properties of 1-[(3-imidazol-1-ylphenyl)methyl]-3-(4-methoxy-4-methylpentan-2-yl)urea?
1-[(3-imidazol-1-ylphenyl)methyl]-3-(4-methoxy-4-methylpentan-2-yl)urea has a molecular weight of 330.43 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-imidazol-1-ylphenyl)methyl]-3-(4-methoxy-4-methylpentan-2-yl)urea is sourced from PubChem (CID 71990049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).