2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C23H17N3OS — CID 3550266

IUPAC2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCN(c1ccccc1)c1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C23H17N3OS/c1-25(17-7-3-2-4-8-17)18-13-11-16(12-14-18)15-21-22(27)26-20-10-6-5-9-19(20)24-23(26)28-21/h2-15H,1H3
InChIKeySBTDQULRYAZNIQ-UHFFFAOYSA-N
MW383.48 g/mol
LogP4.22
Rot. Bonds3

About 2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 3550266) has the molecular formula C23H17N3OS and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID3550266
Molecular FormulaC23H17N3OS
Molecular Weight383.48 g/mol
Exact Mass383.11
IUPAC Name2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCN(c1ccccc1)c1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C23H17N3OS/c1-25(17-7-3-2-4-8-17)18-13-11-16(12-14-18)15-21-22(27)26-20-10-6-5-9-19(20)24-23(26)28-21/h2-15H,1H3
InChIKeySBTDQULRYAZNIQ-UHFFFAOYSA-N
XLogP4.22
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 682128
2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3126656
4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile
CID 92967136
2-[(4-butoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 4264144
(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2289829
(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]quinazoline-1,5-dione
CID 102228148
(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1128770
(2Z)-2-[[4-(cyclopropylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 5455647
(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 668008
(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 847974
(2Z)-2-[(3-bromo-4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1245045
ethyl 2-[4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate
CID 1276627

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of 2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 3550266) is 2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for 2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for 2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is CN(c1ccccc1)c1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1.
What is the InChIKey of 2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is SBTDQULRYAZNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3OS/c1-25(17-7-3-2-4-8-17)18-13-11-16(12-14-18)15-21-22(27)26-20-10-6-5-9-19(20)24-23(26)28-21/h2-15H,1H3.
What are the key properties of 2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 383.48 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 3550266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).