N-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine

C14H9Cl2N5 — CID 82564280

IUPACN-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
SMILESClc1ccc(Nc2nc3nc4ccccc4n3[nH]2)cc1Cl
InChIInChI=1S/C14H9Cl2N5/c15-9-6-5-8(7-10(9)16)17-13-19-14-18-11-3-1-2-4-12(11)21(14)20-13/h1-7H,(H2,17,18,19,20)
InChIKeyORTRWFXENSKNBY-UHFFFAOYSA-N
MW318.17 g/mol
LogP4.26
Rot. Bonds2

About N-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine

N-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine (PubChem CID 82564280) has the molecular formula C14H9Cl2N5 and a molecular weight of 318.17 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
PubChem CID82564280
Molecular FormulaC14H9Cl2N5
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC NameN-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
SMILESClc1ccc(Nc2nc3nc4ccccc4n3[nH]2)cc1Cl
InChIInChI=1S/C14H9Cl2N5/c15-9-6-5-8(7-10(9)16)17-13-19-14-18-11-3-1-2-4-12(11)21(14)20-13/h1-7H,(H2,17,18,19,20)
InChIKeyORTRWFXENSKNBY-UHFFFAOYSA-N
XLogP4.26
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82564248
N-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563731
N-(2,3,4-trifluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82564270
6-chloro-N-[4-(trifluoromethyl)phenyl]-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563719
ethyl 2-(3-chloro-4-fluoroanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564034
6-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563727
N-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
CID 82563585
5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine
CID 24970680
ethyl 2-(4-acetamidoanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564040
6-chloro-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563750
N-(3-methoxyphenyl)-4,7-dioxa-11,12,14,16-tetrazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),9,13,15-pentaen-13-amine
CID 82563823
N,5-bis(3,4-dichlorophenyl)-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine
CID 25254484

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine (CID 82564280) is N-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine is Clc1ccc(Nc2nc3nc4ccccc4n3[nH]2)cc1Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The InChIKey is ORTRWFXENSKNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5/c15-9-6-5-8(7-10(9)16)17-13-19-14-18-11-3-1-2-4-12(11)21(14)20-13/h1-7H,(H2,17,18,19,20).
What are the key properties of N-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
N-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine has a molecular weight of 318.17 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine is sourced from PubChem (CID 82564280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).