N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine

C17H13ClN4S — CID 82563255

IUPACN-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
SMILESCc1ccc(Nc2nc3ccc(-c4nccs4)cc3[nH]2)cc1Cl
InChIInChI=1S/C17H13ClN4S/c1-10-2-4-12(9-13(10)18)20-17-21-14-5-3-11(8-15(14)22-17)16-19-6-7-23-16/h2-9H,1H3,(H2,20,21,22)
InChIKeyLHHBBKWQVSMFKY-UHFFFAOYSA-N
MW340.84 g/mol
LogP5.39
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine

N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine (PubChem CID 82563255) has the molecular formula C17H13ClN4S and a molecular weight of 340.84 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
PubChem CID82563255
Molecular FormulaC17H13ClN4S
Molecular Weight340.84 g/mol
Exact Mass340.05
IUPAC NameN-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
SMILESCc1ccc(Nc2nc3ccc(-c4nccs4)cc3[nH]2)cc1Cl
InChIInChI=1S/C17H13ClN4S/c1-10-2-4-12(9-13(10)18)20-17-21-14-5-3-11(8-15(14)22-17)16-19-6-7-23-16/h2-9H,1H3,(H2,20,21,22)
InChIKeyLHHBBKWQVSMFKY-UHFFFAOYSA-N
XLogP5.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.84
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563238
methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate
CID 82563265
N',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine
CID 82563290
N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563289
5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine
CID 24970680
2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride
CID 24970676
N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine
CID 126502975
N-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82564643
6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 14666426
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 82564660
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3H-benzimidazol-5-yl]-1,3-thiazole
CID 82563335

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine (CID 82563255) is N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine is Cc1ccc(Nc2nc3ccc(-c4nccs4)cc3[nH]2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
The InChIKey is LHHBBKWQVSMFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4S/c1-10-2-4-12(9-13(10)18)20-17-21-14-5-3-11(8-15(14)22-17)16-19-6-7-23-16/h2-9H,1H3,(H2,20,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine has a molecular weight of 340.84 g/mol, XLogP of 5.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 82563255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).