1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea

C24H24N4O — CID 20955716

IUPAC1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
SMILESCc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C24H24N4O/c1-17-10-12-19(13-11-17)23-27-21-8-3-4-9-22(21)28(23)15-14-25-24(29)26-20-7-5-6-18(2)16-20/h3-13,16H,14-15H2,1-2H3,(H2,25,26,29)
InChIKeyZFKWWESLJRGCIT-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.14
Rot. Bonds5

About 1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea

1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea (PubChem CID 20955716) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
PubChem CID20955716
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
SMILESCc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C24H24N4O/c1-17-10-12-19(13-11-17)23-27-21-8-3-4-9-22(21)28(23)15-14-25-24(29)26-20-7-5-6-18(2)16-20/h3-13,16H,14-15H2,1-2H3,(H2,25,26,29)
InChIKeyZFKWWESLJRGCIT-UHFFFAOYSA-N
XLogP5.14
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 46286976
1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 46287017
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067
1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
CID 46287171
1-[(2S)-butan-2-yl]-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 92865598
1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825397
1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
CID 46287172
1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea
CID 46286966
N-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide
CID 78893478
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17033082
N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide
CID 53063187
N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide
CID 78893496

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea (CID 20955716) is 1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea is Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea?
The InChIKey is ZFKWWESLJRGCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-17-10-12-19(13-11-17)23-27-21-8-3-4-9-22(21)28(23)15-14-25-24(29)26-20-7-5-6-18(2)16-20/h3-13,16H,14-15H2,1-2H3,(H2,25,26,29).
What are the key properties of 1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea?
1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea has a molecular weight of 384.48 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea is sourced from PubChem (CID 20955716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).