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

C19H20N4O2 — CID 75502062

IUPAC1-[3-(methoxymethyl)phenyl]-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea
SMILESCOCc1cccc(NC(=O)NCc2ncc(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C19H20N4O2/c1-25-13-14-6-5-9-16(10-14)22-19(24)21-12-18-20-11-17(23-18)15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyJSDOQYNVRMBSAO-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.54
Rot. Bonds6

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

1-[3-(methoxymethyl)phenyl]-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea (PubChem CID 75502062) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenyl]-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenyl]-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea
PubChem CID75502062
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-[3-(methoxymethyl)phenyl]-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea
SMILESCOCc1cccc(NC(=O)NCc2ncc(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C19H20N4O2/c1-25-13-14-6-5-9-16(10-14)22-19(24)21-12-18-20-11-17(23-18)15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyJSDOQYNVRMBSAO-UHFFFAOYSA-N
XLogP3.54
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea
CID 86867482
4-[[3-(methoxymethyl)phenyl]carbamoylamino]-2-methylbutanoic acid
CID 80541759
1-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-[3-(methoxymethyl)phenyl]urea
CID 99564755
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 109461767
2-[[[3-(methoxymethyl)phenyl]carbamoylamino]methyl]-3-methylbutanoic acid
CID 65220954
1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 113224218
(2S)-2-[[3-(methoxymethyl)phenyl]carbamoylamino]propanoic acid
CID 54964892
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 111251420
1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
CID 166363565
1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 86988677
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea
CID 111453013
N-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 32637907

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenyl]-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea?
The IUPAC name of 1-[3-(methoxymethyl)phenyl]-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea (CID 75502062) is 1-[3-(methoxymethyl)phenyl]-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[3-(methoxymethyl)phenyl]-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea?
The canonical SMILES for 1-[3-(methoxymethyl)phenyl]-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea is COCc1cccc(NC(=O)NCc2ncc(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 1-[3-(methoxymethyl)phenyl]-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea?
The InChIKey is JSDOQYNVRMBSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-13-14-6-5-9-16(10-14)22-19(24)21-12-18-20-11-17(23-18)15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,20,23)(H2,21,22,24).
What are the key properties of 1-[3-(methoxymethyl)phenyl]-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea?
1-[3-(methoxymethyl)phenyl]-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea has a molecular weight of 336.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)phenyl]-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea is sourced from PubChem (CID 75502062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).