1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea

C20H22N4O — CID 71869773

IUPAC1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)NCc1nccn1Cc1ccccc1
InChIInChI=1S/C20H22N4O/c1-16-7-5-6-10-18(16)13-22-20(25)23-14-19-21-11-12-24(19)15-17-8-3-2-4-9-17/h2-12H,13-15H2,1H3,(H2,22,23,25)
InChIKeyVECCTOXIUKFXQX-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.24
Rot. Bonds6

About 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea

1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea (PubChem CID 71869773) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea
PubChem CID71869773
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)NCc1nccn1Cc1ccccc1
InChIInChI=1S/C20H22N4O/c1-16-7-5-6-10-18(16)13-22-20(25)23-14-19-21-11-12-24(19)15-17-8-3-2-4-9-17/h2-12H,13-15H2,1H3,(H2,22,23,25)
InChIKeyVECCTOXIUKFXQX-UHFFFAOYSA-N
XLogP3.24
TPSA58.95 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 ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea
CID 71867707
N-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 50971928
1-benzyl-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951505
1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole
CID 86989671
N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide
CID 110025568
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane
CID 144709386
1-[(1-benzylimidazol-2-yl)methyl]-3-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]urea
CID 130274616
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-methylphenoxy)propanamide
CID 134039599
3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
CID 84704499
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea (CID 71869773) is 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea is Cc1ccccc1CNC(=O)NCc1nccn1Cc1ccccc1.
What is the InChIKey of 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea?
The InChIKey is VECCTOXIUKFXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-16-7-5-6-10-18(16)13-22-20(25)23-14-19-21-11-12-24(19)15-17-8-3-2-4-9-17/h2-12H,13-15H2,1H3,(H2,22,23,25).
What are the key properties of 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea?
1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea has a molecular weight of 334.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 71869773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).