1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea

C30H28N4O — CID 46382396

IUPAC1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESCc1ccc(C)c(NC(=O)Nc2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)c1
InChIInChI=1S/C30H28N4O/c1-21-12-13-22(2)27(20-21)33-30(35)31-24-17-14-23(15-18-24)16-19-29-32-26-10-6-7-11-28(26)34(29)25-8-4-3-5-9-25/h3-15,17-18,20H,16,19H2,1-2H3,(H2,31,33,35)
InChIKeyVWJGNKAMUWAIHF-UHFFFAOYSA-N
MW460.58 g/mol
LogP7.07
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea

1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea (PubChem CID 46382396) has the molecular formula C30H28N4O and a molecular weight of 460.58 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
PubChem CID46382396
Molecular FormulaC30H28N4O
Molecular Weight460.58 g/mol
Exact Mass460.23
IUPAC Name1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESCc1ccc(C)c(NC(=O)Nc2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)c1
InChIInChI=1S/C30H28N4O/c1-21-12-13-22(2)27(20-21)33-30(35)31-24-17-14-23(15-18-24)16-19-29-32-26-10-6-7-11-28(26)34(29)25-8-4-3-5-9-25/h3-15,17-18,20H,16,19H2,1-2H3,(H2,31,33,35)
InChIKeyVWJGNKAMUWAIHF-UHFFFAOYSA-N
XLogP7.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382413
N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 52894225
1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382224
1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825646
(2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 92866618
1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825337
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46290493
1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382241
N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290501
2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972167
N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide
CID 46290496

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea (CID 46382396) is 1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea is Cc1ccc(C)c(NC(=O)Nc2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
The InChIKey is VWJGNKAMUWAIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O/c1-21-12-13-22(2)27(20-21)33-30(35)31-24-17-14-23(15-18-24)16-19-29-32-26-10-6-7-11-28(26)34(29)25-8-4-3-5-9-25/h3-15,17-18,20H,16,19H2,1-2H3,(H2,31,33,35).
What are the key properties of 1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea has a molecular weight of 460.58 g/mol, XLogP of 7.07, 6 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-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea is sourced from PubChem (CID 46382396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).