N-(2,3-dichlorophenyl)-N-phenylbenzimidazolo[2,1-b][1,3]benzothiazol-9-amine

C25H15Cl2N3S — CID 164801756

IUPACN-(2,3-dichlorophenyl)-N-phenylbenzimidazolo[2,1-b][1,3]benzothiazol-9-amine
SMILESClc1cccc(N(c2ccccc2)c2ccc3nc4sc5ccccc5n4c3c2)c1Cl
InChIInChI=1S/C25H15Cl2N3S/c26-18-9-6-11-21(24(18)27)29(16-7-2-1-3-8-16)17-13-14-19-22(15-17)30-20-10-4-5-12-23(20)31-25(30)28-19/h1-15H
InChIKeyPSDHRDJLECKXCG-UHFFFAOYSA-N
MW460.39 g/mol
LogP8.48
Rot. Bonds3

About N-(2,3-dichlorophenyl)-N-phenylbenzimidazolo[2,1-b][1,3]benzothiazol-9-amine

N-(2,3-dichlorophenyl)-N-phenylbenzimidazolo[2,1-b][1,3]benzothiazol-9-amine (PubChem CID 164801756) has the molecular formula C25H15Cl2N3S and a molecular weight of 460.39 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N-phenylbenzimidazolo[2,1-b][1,3]benzothiazol-9-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N-phenylbenzimidazolo[2,1-b][1,3]benzothiazol-9-amine
PubChem CID164801756
Molecular FormulaC25H15Cl2N3S
Molecular Weight460.39 g/mol
Exact Mass459.04
IUPAC NameN-(2,3-dichlorophenyl)-N-phenylbenzimidazolo[2,1-b][1,3]benzothiazol-9-amine
SMILESClc1cccc(N(c2ccccc2)c2ccc3nc4sc5ccccc5n4c3c2)c1Cl
InChIInChI=1S/C25H15Cl2N3S/c26-18-9-6-11-21(24(18)27)29(16-7-2-1-3-8-16)17-13-14-19-22(15-17)30-20-10-4-5-12-23(20)31-25(30)28-19/h1-15H
InChIKeyPSDHRDJLECKXCG-UHFFFAOYSA-N
XLogP8.48
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.39
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 118220081
2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163394880
2-(3-phenyl-N-triphenylen-2-ylanilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163395008
2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline
CID 167288755
bis[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane
CID 153462934
2-chloro-1-N,3-N-diphenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 118220371
9-chloro-N,N-diphenyldibenzothiophen-4-amine
CID 139422397
2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline
CID 165105725
2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 134305211
2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline
CID 163574767
2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine
CID 164802555
9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine
CID 139525351

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-N-phenylbenzimidazolo[2,1-b][1,3]benzothiazol-9-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-N-phenylbenzimidazolo[2,1-b][1,3]benzothiazol-9-amine (CID 164801756) is N-(2,3-dichlorophenyl)-N-phenylbenzimidazolo[2,1-b][1,3]benzothiazol-9-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N-phenylbenzimidazolo[2,1-b][1,3]benzothiazol-9-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-N-phenylbenzimidazolo[2,1-b][1,3]benzothiazol-9-amine is Clc1cccc(N(c2ccccc2)c2ccc3nc4sc5ccccc5n4c3c2)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-N-phenylbenzimidazolo[2,1-b][1,3]benzothiazol-9-amine?
The InChIKey is PSDHRDJLECKXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl2N3S/c26-18-9-6-11-21(24(18)27)29(16-7-2-1-3-8-16)17-13-14-19-22(15-17)30-20-10-4-5-12-23(20)31-25(30)28-19/h1-15H.
What are the key properties of N-(2,3-dichlorophenyl)-N-phenylbenzimidazolo[2,1-b][1,3]benzothiazol-9-amine?
N-(2,3-dichlorophenyl)-N-phenylbenzimidazolo[2,1-b][1,3]benzothiazol-9-amine has a molecular weight of 460.39 g/mol, XLogP of 8.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N-phenylbenzimidazolo[2,1-b][1,3]benzothiazol-9-amine is sourced from PubChem (CID 164801756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).