1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea

C22H18N4OS — CID 2393320

IUPAC1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea
SMILESCC(=O)c1ccc(NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C22H18N4OS/c1-14(27)15-6-10-17(11-7-15)23-22(28)24-18-12-8-16(9-13-18)21-25-19-4-2-3-5-20(19)26-21/h2-13H,1H3,(H,25,26)(H2,23,24,28)
InChIKeyNBDZAEGFHWKCPL-UHFFFAOYSA-N
MW386.48 g/mol
LogP5.24
Rot. Bonds4

About 1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea

1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea (PubChem CID 2393320) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea
PubChem CID2393320
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC Name1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea
SMILESCC(=O)c1ccc(NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C22H18N4OS/c1-14(27)15-6-10-17(11-7-15)23-22(28)24-18-12-8-16(9-13-18)21-25-19-4-2-3-5-20(19)26-21/h2-13H,1H3,(H,25,26)(H2,23,24,28)
InChIKeyNBDZAEGFHWKCPL-UHFFFAOYSA-N
XLogP5.24
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea 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

1-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-fluoro-4-methylphenyl)thiourea
CID 24501779
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide
CID 1348553
trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 40820911
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
4-(1H-benzimidazol-2-yl)benzamide
CID 56736972
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide
CID 3584641
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26264601
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937
(E)-4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobut-2-enoic acid
CID 6032890
N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide
CID 43029730

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea?
The IUPAC name of 1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea (CID 2393320) is 1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea is CC(=O)c1ccc(NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea?
The InChIKey is NBDZAEGFHWKCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c1-14(27)15-6-10-17(11-7-15)23-22(28)24-18-12-8-16(9-13-18)21-25-19-4-2-3-5-20(19)26-21/h2-13H,1H3,(H,25,26)(H2,23,24,28).
What are the key properties of 1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea?
1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea has a molecular weight of 386.48 g/mol, XLogP of 5.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea is sourced from PubChem (CID 2393320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).