1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea

C21H21N3O2 — CID 110924300

IUPAC1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
SMILESO=C(NCc1ccccc1CO)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C21H21N3O2/c25-15-18-11-5-4-10-17(18)14-23-21(26)24-20(16-8-2-1-3-9-16)19-12-6-7-13-22-19/h1-13,20,25H,14-15H2,(H2,23,24,26)
InChIKeyNYTBRORKZXRQRS-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.16
Rot. Bonds6

About 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea

1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea (PubChem CID 110924300) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
PubChem CID110924300
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
SMILESO=C(NCc1ccccc1CO)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C21H21N3O2/c25-15-18-11-5-4-10-17(18)14-23-21(26)24-20(16-8-2-1-3-9-16)19-12-6-7-13-22-19/h1-13,20,25H,14-15H2,(H2,23,24,26)
InChIKeyNYTBRORKZXRQRS-UHFFFAOYSA-N
XLogP3.16
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
CID 46596546
1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512687
1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea
CID 36524562
1-butyl-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36961565
1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512185
1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea
CID 51168657
1-[2-(3-fluorophenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea
CID 36962476
1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea
CID 71970121
1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea
CID 35629147
N-[(2-fluorophenyl)methyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 34159063
N-[[2-(phenoxymethyl)phenyl]methyl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 78896287
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea?
The IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea (CID 110924300) is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea.
What is the SMILES notation for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea?
The canonical SMILES for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea is O=C(NCc1ccccc1CO)NC(c1ccccc1)c1ccccn1.
What is the InChIKey of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea?
The InChIKey is NYTBRORKZXRQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-15-18-11-5-4-10-17(18)14-23-21(26)24-20(16-8-2-1-3-9-16)19-12-6-7-13-22-19/h1-13,20,25H,14-15H2,(H2,23,24,26).
What are the key properties of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea?
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea has a molecular weight of 347.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea is sourced from PubChem (CID 110924300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).