1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea

C15H20N4O — CID 47253391

IUPAC1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
SMILESCC(Cn1ccnc1)NC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H20N4O/c1-13(10-19-9-8-16-12-19)17-15(20)18(2)11-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,17,20)
InChIKeyQQPUHUGOOBNTCU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.11
Rot. Bonds5

About 1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea

1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea (PubChem CID 47253391) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea.

Molecular Properties

Compound Name1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
PubChem CID47253391
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
SMILESCC(Cn1ccnc1)NC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H20N4O/c1-13(10-19-9-8-16-12-19)17-15(20)18(2)11-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,17,20)
InChIKeyQQPUHUGOOBNTCU-UHFFFAOYSA-N
XLogP2.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 95302643
1-[(5-chlorothiophen-2-yl)methyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]-1-methylurea
CID 94122893
1-[(5-chlorothiophen-2-yl)methyl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methylurea
CID 94122892
3-[acetyl(benzyl)amino]-N-[(2R)-1-imidazol-1-ylpropan-2-yl]propanamide
CID 95300117
1-[(2,3-dimethoxyphenyl)methyl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methylurea
CID 94122784
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 53499224
3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea
CID 95334652
1-benzyl-3-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-methylurea
CID 51928394
1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea
CID 95133629
2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61480594
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea?
The IUPAC name of 1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea (CID 47253391) is 1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea.
What is the SMILES notation for 1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea?
The canonical SMILES for 1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea is CC(Cn1ccnc1)NC(=O)N(C)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea?
The InChIKey is QQPUHUGOOBNTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-13(10-19-9-8-16-12-19)17-15(20)18(2)11-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,17,20).
What are the key properties of 1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea?
1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea has a molecular weight of 272.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea is sourced from PubChem (CID 47253391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).