(2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C17H14N2OS — CID 947701

IUPAC(2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1ccc(C[C@@H]2Sc3nc4ccccc4n3C2=O)cc1
InChIInChI=1S/C17H14N2OS/c1-11-6-8-12(9-7-11)10-15-16(20)19-14-5-3-2-4-13(14)18-17(19)21-15/h2-9,15H,10H2,1H3/t15-/m0/s1
InChIKeyDUANDLHVNYKVNR-HNNXBMFYSA-N
MW294.38 g/mol
LogP3.70
Rot. Bonds2

About (2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 947701) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is (2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID947701
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name(2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1ccc(C[C@@H]2Sc3nc4ccccc4n3C2=O)cc1
InChIInChI=1S/C17H14N2OS/c1-11-6-8-12(9-7-11)10-15-16(20)19-14-5-3-2-4-13(14)18-17(19)21-15/h2-9,15H,10H2,1H3/t15-/m0/s1
InChIKeyDUANDLHVNYKVNR-HNNXBMFYSA-N
XLogP3.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
CID 121471369
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
(5S)-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione
CID 126154465
1-(2-chlorophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea
CID 3038332
5-[(4-methylphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 4105679
(3R,4R)-3-methyl-4-[(4-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione
CID 738132
1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone
CID 11715904
2-methyl-5,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one
CID 14200915
N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832460
5-[[4-[(1-cyclopentylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 127027660
2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 7855833
1-(2-methylphenyl)-2-[10-(4-methylphenyl)anthracen-9-yl]benzimidazole
CID 89265079

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 947701) is (2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is Cc1ccc(C[C@@H]2Sc3nc4ccccc4n3C2=O)cc1.
What is the InChIKey of (2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is DUANDLHVNYKVNR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-11-6-8-12(9-7-11)10-15-16(20)19-14-5-3-2-4-13(14)18-17(19)21-15/h2-9,15H,10H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 294.38 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 947701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).