[5-(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)-4-(3-methylphenyl)-1H-imidazol-2-yl]urea

C25H22N6O2 — CID 23581563

IUPAC[5-(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)-4-(3-methylphenyl)-1H-imidazol-2-yl]urea
SMILESCc1cccc(-c2nc(NC(N)=O)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3-c2ccccc2)c1
InChIInChI=1S/C25H22N6O2/c1-15-7-6-8-16(13-15)21-22(28-24(27-21)29-23(26)32)17-11-12-19-20(14-17)30(2)25(33)31(19)18-9-4-3-5-10-18/h3-14H,1-2H3,(H4,26,27,28,29,32)
InChIKeyKGZOMWMZAASUHE-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.19
Rot. Bonds4

About [5-(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)-4-(3-methylphenyl)-1H-imidazol-2-yl]urea

[5-(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)-4-(3-methylphenyl)-1H-imidazol-2-yl]urea (PubChem CID 23581563) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is [5-(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)-4-(3-methylphenyl)-1H-imidazol-2-yl]urea.

Molecular Properties

Compound Name[5-(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)-4-(3-methylphenyl)-1H-imidazol-2-yl]urea
PubChem CID23581563
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC Name[5-(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)-4-(3-methylphenyl)-1H-imidazol-2-yl]urea
SMILESCc1cccc(-c2nc(NC(N)=O)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3-c2ccccc2)c1
InChIInChI=1S/C25H22N6O2/c1-15-7-6-8-16(13-15)21-22(28-24(27-21)29-23(26)32)17-11-12-19-20(14-17)30(2)25(33)31(19)18-9-4-3-5-10-18/h3-14H,1-2H3,(H4,26,27,28,29,32)
InChIKeyKGZOMWMZAASUHE-UHFFFAOYSA-N
XLogP4.19
TPSA110.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)-4-(3-methylphenyl)-1H-imidazol-2-yl]urea?
The IUPAC name of [5-(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)-4-(3-methylphenyl)-1H-imidazol-2-yl]urea (CID 23581563) is [5-(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)-4-(3-methylphenyl)-1H-imidazol-2-yl]urea.
What is the SMILES notation for [5-(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)-4-(3-methylphenyl)-1H-imidazol-2-yl]urea?
The canonical SMILES for [5-(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)-4-(3-methylphenyl)-1H-imidazol-2-yl]urea is Cc1cccc(-c2nc(NC(N)=O)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3-c2ccccc2)c1.
What is the InChIKey of [5-(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)-4-(3-methylphenyl)-1H-imidazol-2-yl]urea?
The InChIKey is KGZOMWMZAASUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-15-7-6-8-16(13-15)21-22(28-24(27-21)29-23(26)32)17-11-12-19-20(14-17)30(2)25(33)31(19)18-9-4-3-5-10-18/h3-14H,1-2H3,(H4,26,27,28,29,32).
What are the key properties of [5-(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)-4-(3-methylphenyl)-1H-imidazol-2-yl]urea?
[5-(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)-4-(3-methylphenyl)-1H-imidazol-2-yl]urea has a molecular weight of 438.49 g/mol, XLogP of 4.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)-4-(3-methylphenyl)-1H-imidazol-2-yl]urea is sourced from PubChem (CID 23581563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).