3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea

C20H24N4O — CID 95334652

IUPAC3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea
SMILESC[C@@H](Cn1ccnc1)NC(=O)N(C)CCc1cccc2ccccc12
InChIInChI=1S/C20H24N4O/c1-16(14-24-13-11-21-15-24)22-20(25)23(2)12-10-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,11,13,15-16H,10,12,14H2,1-2H3,(H,22,25)/t16-/m0/s1
InChIKeyVMYQZIXBTISCPG-INIZCTEOSA-N
MW336.44 g/mol
LogP3.31
Rot. Bonds6

About 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea

3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea (PubChem CID 95334652) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea.

Molecular Properties

Compound Name3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea
PubChem CID95334652
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea
SMILESC[C@@H](Cn1ccnc1)NC(=O)N(C)CCc1cccc2ccccc12
InChIInChI=1S/C20H24N4O/c1-16(14-24-13-11-21-15-24)22-20(25)23(2)12-10-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,11,13,15-16H,10,12,14H2,1-2H3,(H,22,25)/t16-/m0/s1
InChIKeyVMYQZIXBTISCPG-INIZCTEOSA-N
XLogP3.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea?
The IUPAC name of 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea (CID 95334652) is 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea.
What is the SMILES notation for 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea?
The canonical SMILES for 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea is C[C@@H](Cn1ccnc1)NC(=O)N(C)CCc1cccc2ccccc12.
What is the InChIKey of 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea?
The InChIKey is VMYQZIXBTISCPG-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N4O/c1-16(14-24-13-11-21-15-24)22-20(25)23(2)12-10-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,11,13,15-16H,10,12,14H2,1-2H3,(H,22,25)/t16-/m0/s1.
What are the key properties of 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea?
3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea has a molecular weight of 336.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea is sourced from PubChem (CID 95334652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).