5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one

C18H16N4OS — CID 42914895

IUPAC5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(Nc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1)c1ccccc1
InChIInChI=1S/C18H16N4OS/c1-11(12-5-3-2-4-6-12)19-18-22-16(10-24-18)13-7-8-14-15(9-13)21-17(23)20-14/h2-11H,1H3,(H,19,22)(H2,20,21,23)
InChIKeyOXCYMPDGNOVLQA-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.15
Rot. Bonds4

About 5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one

5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 42914895) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID42914895
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(Nc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1)c1ccccc1
InChIInChI=1S/C18H16N4OS/c1-11(12-5-3-2-4-6-12)19-18-22-16(10-24-18)13-7-8-14-15(9-13)21-17(23)20-14/h2-11H,1H3,(H,19,22)(H2,20,21,23)
InChIKeyOXCYMPDGNOVLQA-UHFFFAOYSA-N
XLogP4.15
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one 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

N-[(1R)-1-phenylethyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2464196
5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343382
6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343413
N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 2560713
4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine
CID 4969311
N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 9343376
N-[(2R)-4-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750342
5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 116968122
5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 24505655
5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 71870436
4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine
CID 2536248
4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine
CID 133370788

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (CID 42914895) is 5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is CC(Nc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1)c1ccccc1.
What is the InChIKey of 5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is OXCYMPDGNOVLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-11(12-5-3-2-4-6-12)19-18-22-16(10-24-18)13-7-8-14-15(9-13)21-17(23)20-14/h2-11H,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of 5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 336.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 42914895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).