1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea

C26H28N4O — CID 46287188

IUPAC1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
SMILESCc1ccc(NC(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1C
InChIInChI=1S/C26H28N4O/c1-19-12-14-22(18-20(19)2)28-26(31)27-16-17-30-24-11-7-6-10-23(24)29-25(30)15-13-21-8-4-3-5-9-21/h3-12,14,18H,13,15-17H2,1-2H3,(H2,27,28,31)
InChIKeyLFZHLVQVVQYNQG-UHFFFAOYSA-N
MW412.54 g/mol
LogP5.26
Rot. Bonds7

About 1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea

1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea (PubChem CID 46287188) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
PubChem CID46287188
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
SMILESCc1ccc(NC(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1C
InChIInChI=1S/C26H28N4O/c1-19-12-14-22(18-20(19)2)28-26(31)27-16-17-30-24-11-7-6-10-23(24)29-25(30)15-13-21-8-4-3-5-9-21/h3-12,14,18H,13,15-17H2,1-2H3,(H2,27,28,31)
InChIKeyLFZHLVQVVQYNQG-UHFFFAOYSA-N
XLogP5.26
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea with MolForge

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
CID 50762211
1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825337
1-(2-ethoxyphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
CID 50762157
3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063143
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825397
3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid
CID 82144764
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
N-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide
CID 78893478
3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46290775
1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 71898971
1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 20955716

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea (CID 46287188) is 1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea is Cc1ccc(NC(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea?
The InChIKey is LFZHLVQVVQYNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-19-12-14-22(18-20(19)2)28-26(31)27-16-17-30-24-11-7-6-10-23(24)29-25(30)15-13-21-8-4-3-5-9-21/h3-12,14,18H,13,15-17H2,1-2H3,(H2,27,28,31).
What are the key properties of 1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea?
1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea has a molecular weight of 412.54 g/mol, XLogP of 5.26, 7 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-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea is sourced from PubChem (CID 46287188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).