1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea

C25H26N4O — CID 50825337

IUPAC1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc1C
InChIInChI=1S/C25H26N4O/c1-17-8-12-21(16-18(17)2)27-25(30)26-20-13-9-19(10-14-20)11-15-24-28-22-6-4-5-7-23(22)29(24)3/h4-10,12-14,16H,11,15H2,1-3H3,(H2,26,27,30)
InChIKeyYIONYWRTSIPBAE-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.62
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea

1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea (PubChem CID 50825337) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
PubChem CID50825337
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc1C
InChIInChI=1S/C25H26N4O/c1-17-8-12-21(16-18(17)2)27-25(30)26-20-13-9-19(10-14-20)11-15-24-28-22-6-4-5-7-23(22)29(24)3/h4-10,12-14,16H,11,15H2,1-3H3,(H2,26,27,30)
InChIKeyYIONYWRTSIPBAE-UHFFFAOYSA-N
XLogP5.62
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
1-(2-chlorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382332
1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
CID 46287188
N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide
CID 46290663
1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825646
1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382338
2,4-dimethoxy-N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46290657
1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46382209
1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382396
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea (CID 50825337) is 1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea is Cc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea?
The InChIKey is YIONYWRTSIPBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-17-8-12-21(16-18(17)2)27-25(30)26-20-13-9-19(10-14-20)11-15-24-28-22-6-4-5-7-23(22)29(24)3/h4-10,12-14,16H,11,15H2,1-3H3,(H2,26,27,30).
What are the key properties of 1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea?
1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea has a molecular weight of 398.51 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea is sourced from PubChem (CID 50825337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).