1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea

C25H26N4O — CID 50825646

IUPAC1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESCc1ccc(C)c(NC(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)c1
InChIInChI=1S/C25H26N4O/c1-17-11-12-18(2)22(15-17)28-25(30)26-20-8-6-7-19(16-20)13-14-24-27-21-9-4-5-10-23(21)29(24)3/h4-12,15-16H,13-14H2,1-3H3,(H2,26,28,30)
InChIKeyOHAPSZDHSQWEIR-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.62
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea

1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea (PubChem CID 50825646) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
PubChem CID50825646
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESCc1ccc(C)c(NC(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)c1
InChIInChI=1S/C25H26N4O/c1-17-11-12-18(2)22(15-17)28-25(30)26-20-8-6-7-19(16-20)13-14-24-27-21-9-4-5-10-23(21)29(24)3/h4-12,15-16H,13-14H2,1-3H3,(H2,26,28,30)
InChIKeyOHAPSZDHSQWEIR-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

N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494
1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46382209
1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825337
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382396
2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328429
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972066
3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328410
3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46328435
1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382224
1-(2-chlorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382332

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea (CID 50825646) is 1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea is Cc1ccc(C)c(NC(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea?
The InChIKey is OHAPSZDHSQWEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-17-11-12-18(2)22(15-17)28-25(30)26-20-8-6-7-19(16-20)13-14-24-27-21-9-4-5-10-23(21)29(24)3/h4-12,15-16H,13-14H2,1-3H3,(H2,26,28,30).
What are the key properties of 1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea?
1-(2,5-dimethylphenyl)-3-[3-[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-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea is sourced from PubChem (CID 50825646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).