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

C16H11FN4S — CID 82563238

IUPACN-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
SMILESFc1ccc(Nc2nc3ccc(-c4nccs4)cc3[nH]2)cc1
InChIInChI=1S/C16H11FN4S/c17-11-2-4-12(5-3-11)19-16-20-13-6-1-10(9-14(13)21-16)15-18-7-8-22-15/h1-9H,(H2,19,20,21)
InChIKeyHKWOVPXRYZXZHR-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.57
Rot. Bonds3

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

N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine (PubChem CID 82563238) has the molecular formula C16H11FN4S and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
PubChem CID82563238
Molecular FormulaC16H11FN4S
Molecular Weight310.36 g/mol
Exact Mass310.07
IUPAC NameN-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
SMILESFc1ccc(Nc2nc3ccc(-c4nccs4)cc3[nH]2)cc1
InChIInChI=1S/C16H11FN4S/c17-11-2-4-12(5-3-11)19-16-20-13-6-1-10(9-14(13)21-16)15-18-7-8-22-15/h1-9H,(H2,19,20,21)
InChIKeyHKWOVPXRYZXZHR-UHFFFAOYSA-N
XLogP4.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate
CID 82563265
N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563255
N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563289
N-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82564643
N',N'-dimethyl-N-[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]ethane-1,2-diamine
CID 82563290
6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 82564660
6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 14666426
6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine
CID 82563483
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid
CID 87456745
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
N-[4-[[6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl]amino]phenyl]acetamide
CID 82564102

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine (CID 82563238) is N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine is Fc1ccc(Nc2nc3ccc(-c4nccs4)cc3[nH]2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
The InChIKey is HKWOVPXRYZXZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4S/c17-11-2-4-12(5-3-11)19-16-20-13-6-1-10(9-14(13)21-16)15-18-7-8-22-15/h1-9H,(H2,19,20,21).
What are the key properties of N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine has a molecular weight of 310.36 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 82563238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).