[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea

C20H22N4O — CID 145032499

IUPAC[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea
SMILESCc1cccc(-n2ccnc2[C@H](CCc2ccccc2)NC(N)=O)c1
InChIInChI=1S/C20H22N4O/c1-15-6-5-9-17(14-15)24-13-12-22-19(24)18(23-20(21)25)11-10-16-7-3-2-4-8-16/h2-9,12-14,18H,10-11H2,1H3,(H3,21,23,25)/t18-/m0/s1
InChIKeyXLGUNZQADYIPQP-SFHVURJKSA-N
MW334.42 g/mol
LogP3.52
Rot. Bonds6

About [(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea

[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea (PubChem CID 145032499) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is [(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea.

Molecular Properties

Compound Name[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea
PubChem CID145032499
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea
SMILESCc1cccc(-n2ccnc2[C@H](CCc2ccccc2)NC(N)=O)c1
InChIInChI=1S/C20H22N4O/c1-15-6-5-9-17(14-15)24-13-12-22-19(24)18(23-20(21)25)11-10-16-7-3-2-4-8-16/h2-9,12-14,18H,10-11H2,1H3,(H3,21,23,25)/t18-/m0/s1
InChIKeyXLGUNZQADYIPQP-SFHVURJKSA-N
XLogP3.52
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea 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

1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950919
1-methyl-3-[1-[1-(1-methylbenzimidazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea
CID 145032559
1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea
CID 149053875
(2R)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfonyl-N,N-di(propan-2-yl)propanamide
CID 52524902
2-amino-1-(3-methylphenyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2011188
N-[3-[2-[1-[(2-methylphenyl)sulfinylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]butanamide
CID 145032550
1-[(1S)-1-[1-(1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950694
1-[1-[1-(1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950695
1-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950753
(3S)-3-(carbamoylamino)-3-(3-methylphenyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]propanamide
CID 35218612
N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51236327
1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-(4-nitrophenyl)imidazol-2-yl]-2-phenylethyl]urea
CID 118951002

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea?
The IUPAC name of [(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea (CID 145032499) is [(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea.
What is the SMILES notation for [(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea?
The canonical SMILES for [(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea is Cc1cccc(-n2ccnc2[C@H](CCc2ccccc2)NC(N)=O)c1.
What is the InChIKey of [(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea?
The InChIKey is XLGUNZQADYIPQP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-6-5-9-17(14-15)24-13-12-22-19(24)18(23-20(21)25)11-10-16-7-3-2-4-8-16/h2-9,12-14,18H,10-11H2,1H3,(H3,21,23,25)/t18-/m0/s1.
What are the key properties of [(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea?
[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea has a molecular weight of 334.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea is sourced from PubChem (CID 145032499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).