N-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine

C14H9BrClN5 — CID 82563731

IUPACN-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
SMILESClc1ccc2c(c1)nc1nc(Nc3cccc(Br)c3)[nH]n12
InChIInChI=1S/C14H9BrClN5/c15-8-2-1-3-10(6-8)17-13-19-14-18-11-7-9(16)4-5-12(11)21(14)20-13/h1-7H,(H2,17,18,19,20)
InChIKeyYKMOQSZAXCPIKE-UHFFFAOYSA-N
MW362.62 g/mol
LogP4.37
Rot. Bonds2

About N-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine

N-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine (PubChem CID 82563731) has the molecular formula C14H9BrClN5 and a molecular weight of 362.62 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
PubChem CID82563731
Molecular FormulaC14H9BrClN5
Molecular Weight362.62 g/mol
Exact Mass360.97
IUPAC NameN-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
SMILESClc1ccc2c(c1)nc1nc(Nc3cccc(Br)c3)[nH]n12
InChIInChI=1S/C14H9BrClN5/c15-8-2-1-3-10(6-8)17-13-19-14-18-11-7-9(16)4-5-12(11)21(14)20-13/h1-7H,(H2,17,18,19,20)
InChIKeyYKMOQSZAXCPIKE-UHFFFAOYSA-N
XLogP4.37
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.62
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[4-(trifluoromethyl)phenyl]-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563719
6-chloro-N-(4-nitrophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563704
6-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563727
6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82564203
N-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82564280
N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563568
6-chloro-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563750
ethyl 2-(3-chloro-4-fluoroanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564034
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
3-(4,6-dioxa-10,11,13,15-tetrazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,12,14-pentaen-12-ylamino)benzonitrile
CID 82563756
ethyl 2-(5-chloro-2-methylanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564033
N-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
CID 82563585

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The IUPAC name of N-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine (CID 82563731) is N-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The canonical SMILES for N-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine is Clc1ccc2c(c1)nc1nc(Nc3cccc(Br)c3)[nH]n12.
What is the InChIKey of N-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The InChIKey is YKMOQSZAXCPIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN5/c15-8-2-1-3-10(6-8)17-13-19-14-18-11-7-9(16)4-5-12(11)21(14)20-13/h1-7H,(H2,17,18,19,20).
What are the key properties of N-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
N-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine has a molecular weight of 362.62 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine is sourced from PubChem (CID 82563731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).