3-(2-methoxy-2-methylpropyl)-1-methyl-1-[(5-phenyl-1H-imidazol-2-yl)methyl]urea

C17H24N4O2 — CID 75382129

IUPAC3-(2-methoxy-2-methylpropyl)-1-methyl-1-[(5-phenyl-1H-imidazol-2-yl)methyl]urea
SMILESCOC(C)(C)CNC(=O)N(C)Cc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H24N4O2/c1-17(2,23-4)12-19-16(22)21(3)11-15-18-10-14(20-15)13-8-6-5-7-9-13/h5-10H,11-12H2,1-4H3,(H,18,20)(H,19,22)
InChIKeyDUUICCSSCOXPPX-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.64
Rot. Bonds6

About 3-(2-methoxy-2-methylpropyl)-1-methyl-1-[(5-phenyl-1H-imidazol-2-yl)methyl]urea

3-(2-methoxy-2-methylpropyl)-1-methyl-1-[(5-phenyl-1H-imidazol-2-yl)methyl]urea (PubChem CID 75382129) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-(2-methoxy-2-methylpropyl)-1-methyl-1-[(5-phenyl-1H-imidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name3-(2-methoxy-2-methylpropyl)-1-methyl-1-[(5-phenyl-1H-imidazol-2-yl)methyl]urea
PubChem CID75382129
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-(2-methoxy-2-methylpropyl)-1-methyl-1-[(5-phenyl-1H-imidazol-2-yl)methyl]urea
SMILESCOC(C)(C)CNC(=O)N(C)Cc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H24N4O2/c1-17(2,23-4)12-19-16(22)21(3)11-15-18-10-14(20-15)13-8-6-5-7-9-13/h5-10H,11-12H2,1-4H3,(H,18,20)(H,19,22)
InChIKeyDUUICCSSCOXPPX-UHFFFAOYSA-N
XLogP2.64
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenylimidazole
CID 69590
2,4-Diphenylimidazole
CID 296732
4-Methyl-2-phenyl-1H-imidazole
CID 70012
2-Hexyl-5-[4-(2-methylpropyl)phenyl]-1H-imidazole
CID 9795821
2-hexyl-5-(4-phenylphenyl)-1H-imidazole
CID 9922499
5-phenyl-2-undecan-6-yl-1H-imidazole
CID 9944114
Benzyl-methyl-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
CID 10802230
methyl[(4-phenyl-1H-imidazol-2-yl)methyl]amine
CID 24971325
2-Methyl-4-Phenyl-1H-Imidazole
CID 594112
5-(4-fluorophenyl)-2-undecan-6-yl-1H-imidazole
CID 9836594
5-(4-fluorophenyl)-2-heptan-4-yl-1H-imidazole
CID 9899906
butyl N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]carbamate
CID 9902686

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-2-methylpropyl)-1-methyl-1-[(5-phenyl-1H-imidazol-2-yl)methyl]urea?
The IUPAC name of 3-(2-methoxy-2-methylpropyl)-1-methyl-1-[(5-phenyl-1H-imidazol-2-yl)methyl]urea (CID 75382129) is 3-(2-methoxy-2-methylpropyl)-1-methyl-1-[(5-phenyl-1H-imidazol-2-yl)methyl]urea.
What is the SMILES notation for 3-(2-methoxy-2-methylpropyl)-1-methyl-1-[(5-phenyl-1H-imidazol-2-yl)methyl]urea?
The canonical SMILES for 3-(2-methoxy-2-methylpropyl)-1-methyl-1-[(5-phenyl-1H-imidazol-2-yl)methyl]urea is COC(C)(C)CNC(=O)N(C)Cc1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 3-(2-methoxy-2-methylpropyl)-1-methyl-1-[(5-phenyl-1H-imidazol-2-yl)methyl]urea?
The InChIKey is DUUICCSSCOXPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-17(2,23-4)12-19-16(22)21(3)11-15-18-10-14(20-15)13-8-6-5-7-9-13/h5-10H,11-12H2,1-4H3,(H,18,20)(H,19,22).
What are the key properties of 3-(2-methoxy-2-methylpropyl)-1-methyl-1-[(5-phenyl-1H-imidazol-2-yl)methyl]urea?
3-(2-methoxy-2-methylpropyl)-1-methyl-1-[(5-phenyl-1H-imidazol-2-yl)methyl]urea has a molecular weight of 316.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-2-methylpropyl)-1-methyl-1-[(5-phenyl-1H-imidazol-2-yl)methyl]urea is sourced from PubChem (CID 75382129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).