N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine

C22H17N5S — CID 3489613

IUPACN-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine
SMILESc1ccc(C(Cc2nc3ccccc3[nH]2)=NNc2nc3ccccc3s2)cc1
InChIInChI=1S/C22H17N5S/c1-2-8-15(9-3-1)19(14-21-23-16-10-4-5-11-17(16)24-21)26-27-22-25-18-12-6-7-13-20(18)28-22/h1-13H,14H2,(H,23,24)(H,25,27)
InChIKeyLTCFPMNJKPDJNG-UHFFFAOYSA-N
MW383.48 g/mol
LogP5.23
Rot. Bonds5

About N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine

N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine (PubChem CID 3489613) has the molecular formula C22H17N5S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine
PubChem CID3489613
Molecular FormulaC22H17N5S
Molecular Weight383.48 g/mol
Exact Mass383.12
IUPAC NameN-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine
SMILESc1ccc(C(Cc2nc3ccccc3[nH]2)=NNc2nc3ccccc3s2)cc1
InChIInChI=1S/C22H17N5S/c1-2-8-15(9-3-1)19(14-21-23-16-10-4-5-11-17(16)24-21)26-27-22-25-18-12-6-7-13-20(18)28-22/h1-13H,14H2,(H,23,24)(H,25,27)
InChIKeyLTCFPMNJKPDJNG-UHFFFAOYSA-N
XLogP5.23
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethylidene]amino]aniline
CID 4621392
(NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine
CID 25344926
N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline
CID 6520440
4-[N-(1,3-benzothiazol-2-ylamino)-C-ethylcarbonimidoyl]phenol
CID 3270340
2-[(2E)-2-[2-(1,3-benzothiazol-2-yl)-1-phenylethylidene]hydrazinyl]ethanol
CID 134934482
N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine
CID 4656710
N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-3-nitrobenzamide
CID 5083022
3-[(2E)-2-[2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethylidene]hydrazinyl]propanenitrile
CID 6520359
2-anilino-N-(1H-benzimidazol-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 117093180
N-[(Z)-4-phenylbutan-2-ylideneamino]-1,3-benzothiazol-2-amine
CID 9017097
N'-(1,3-benzothiazol-2-ylamino)-N-[(2-ethylphenyl)methylidene]ethanimidamide
CID 138517648
2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine
CID 71951324

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine (CID 3489613) is N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine is c1ccc(C(Cc2nc3ccccc3[nH]2)=NNc2nc3ccccc3s2)cc1.
What is the InChIKey of N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine?
The InChIKey is LTCFPMNJKPDJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5S/c1-2-8-15(9-3-1)19(14-21-23-16-10-4-5-11-17(16)24-21)26-27-22-25-18-12-6-7-13-20(18)28-22/h1-13H,14H2,(H,23,24)(H,25,27).
What are the key properties of N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine?
N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine has a molecular weight of 383.48 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 3489613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).