N-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine

C17H13FN4S — CID 82564643

IUPACN-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
SMILESFc1cccc(CNc2nc3ccc(-c4nccs4)cc3[nH]2)c1
InChIInChI=1S/C17H13FN4S/c18-13-3-1-2-11(8-13)10-20-17-21-14-5-4-12(9-15(14)22-17)16-19-6-7-23-16/h1-9H,10H2,(H2,20,21,22)
InChIKeyVLJOLZOIKRWRFD-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.44
Rot. Bonds4

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

N-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine (PubChem CID 82564643) has the molecular formula C17H13FN4S and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
PubChem CID82564643
Molecular FormulaC17H13FN4S
Molecular Weight324.38 g/mol
Exact Mass324.08
IUPAC NameN-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
SMILESFc1cccc(CNc2nc3ccc(-c4nccs4)cc3[nH]2)c1
InChIInChI=1S/C17H13FN4S/c18-13-3-1-2-11(8-13)10-20-17-21-14-5-4-12(9-15(14)22-17)16-19-6-7-23-16/h1-9H,10H2,(H2,20,21,22)
InChIKeyVLJOLZOIKRWRFD-UHFFFAOYSA-N
XLogP4.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 82564660
N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563238
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
N-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82564480
6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine
CID 103295035
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
N-benzyl-6-(5-phenyl-1H-imidazol-4-yl)-1H-benzimidazol-2-amine
CID 122510644
6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine
CID 103294733
6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine
CID 103294777
N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563255
N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine (CID 82564643) is N-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine is Fc1cccc(CNc2nc3ccc(-c4nccs4)cc3[nH]2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
The InChIKey is VLJOLZOIKRWRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4S/c18-13-3-1-2-11(8-13)10-20-17-21-14-5-4-12(9-15(14)22-17)16-19-6-7-23-16/h1-9H,10H2,(H2,20,21,22).
What are the key properties of N-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
N-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine has a molecular weight of 324.38 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 82564643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).