1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea

C24H23FN4O — CID 155114131

IUPAC1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea
SMILESCc1cc(C)cc(NC(=O)Nc2ccc3nc(CCc4ccc(F)cc4)[nH]c3c2)c1
InChIInChI=1S/C24H23FN4O/c1-15-11-16(2)13-20(12-15)27-24(30)26-19-8-9-21-22(14-19)29-23(28-21)10-5-17-3-6-18(25)7-4-17/h3-4,6-9,11-14H,5,10H2,1-2H3,(H,28,29)(H2,26,27,30)
InChIKeyDRYVUMCHRXJHID-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.75
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea

1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea (PubChem CID 155114131) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea
PubChem CID155114131
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea
SMILESCc1cc(C)cc(NC(=O)Nc2ccc3nc(CCc4ccc(F)cc4)[nH]c3c2)c1
InChIInChI=1S/C24H23FN4O/c1-15-11-16(2)13-20(12-15)27-24(30)26-19-8-9-21-22(14-19)29-23(28-21)10-5-17-3-6-18(25)7-4-17/h3-4,6-9,11-14H,5,10H2,1-2H3,(H,28,29)(H2,26,27,30)
InChIKeyDRYVUMCHRXJHID-UHFFFAOYSA-N
XLogP5.75
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328967
N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789623
3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328987
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-2-phenylacetamide
CID 46290758
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 46290552
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea
CID 46382289
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290730
2-cyclopentyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]acetamide
CID 46290733
6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 64723336
2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328977
2-[2-(4-acetamidophenyl)ethyl]-N-(3-bromophenyl)-3H-benzimidazole-5-carboxamide
CID 46335025
1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea
CID 91659482

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea (CID 155114131) is 1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea is Cc1cc(C)cc(NC(=O)Nc2ccc3nc(CCc4ccc(F)cc4)[nH]c3c2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea?
The InChIKey is DRYVUMCHRXJHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-15-11-16(2)13-20(12-15)27-24(30)26-19-8-9-21-22(14-19)29-23(28-21)10-5-17-3-6-18(25)7-4-17/h3-4,6-9,11-14H,5,10H2,1-2H3,(H,28,29)(H2,26,27,30).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea?
1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea has a molecular weight of 402.47 g/mol, XLogP of 5.75, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea is sourced from PubChem (CID 155114131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).