6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine

C13H12FN3S — CID 103295035

IUPAC6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine
SMILESCc1ccsc1CNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C13H12FN3S/c1-8-4-5-18-12(8)7-15-13-16-10-3-2-9(14)6-11(10)17-13/h2-6H,7H2,1H3,(H2,15,16,17)
InChIKeyLDXGKASFEKYMSR-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.68
Rot. Bonds3

About 6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine

6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine (PubChem CID 103295035) has the molecular formula C13H12FN3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine
PubChem CID103295035
Molecular FormulaC13H12FN3S
Molecular Weight261.32 g/mol
Exact Mass261.07
IUPAC Name6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine
SMILESCc1ccsc1CNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C13H12FN3S/c1-8-4-5-18-12(8)7-15-13-16-10-3-2-9(14)6-11(10)17-13/h2-6H,7H2,1H3,(H2,15,16,17)
InChIKeyLDXGKASFEKYMSR-UHFFFAOYSA-N
XLogP3.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine
CID 103294777
N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294770
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
CID 103295135
6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
CID 103294952
1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 103295277
N-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82564643
2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine
CID 110170414
6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82564403
6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine
CID 103294733

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine (CID 103295035) is 6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine is Cc1ccsc1CNc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine?
The InChIKey is LDXGKASFEKYMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3S/c1-8-4-5-18-12(8)7-15-13-16-10-3-2-9(14)6-11(10)17-13/h2-6H,7H2,1H3,(H2,15,16,17).
What are the key properties of 6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine?
6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine has a molecular weight of 261.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 103295035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).