1-[(4,5-dimethylthiophen-2-yl)methyl]-5-fluorobenzimidazol-2-amine

C14H14FN3S — CID 65245395

IUPAC1-[(4,5-dimethylthiophen-2-yl)methyl]-5-fluorobenzimidazol-2-amine
SMILESCc1cc(Cn2c(N)nc3cc(F)ccc32)sc1C
InChIInChI=1S/C14H14FN3S/c1-8-5-11(19-9(8)2)7-18-13-4-3-10(15)6-12(13)17-14(18)16/h3-6H,7H2,1-2H3,(H2,16,17)
InChIKeyMEWXWZPXBRZOPC-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.48
Rot. Bonds2

About 1-[(4,5-dimethylthiophen-2-yl)methyl]-5-fluorobenzimidazol-2-amine

1-[(4,5-dimethylthiophen-2-yl)methyl]-5-fluorobenzimidazol-2-amine (PubChem CID 65245395) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[(4,5-dimethylthiophen-2-yl)methyl]-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(4,5-dimethylthiophen-2-yl)methyl]-5-fluorobenzimidazol-2-amine
PubChem CID65245395
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name1-[(4,5-dimethylthiophen-2-yl)methyl]-5-fluorobenzimidazol-2-amine
SMILESCc1cc(Cn2c(N)nc3cc(F)ccc32)sc1C
InChIInChI=1S/C14H14FN3S/c1-8-5-11(19-9(8)2)7-18-13-4-3-10(15)6-12(13)17-14(18)16/h3-6H,7H2,1-2H3,(H2,16,17)
InChIKeyMEWXWZPXBRZOPC-UHFFFAOYSA-N
XLogP3.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81136141
1-[(4,5-dimethylthiophen-2-yl)methyl]-2-propylbenzimidazol-5-amine
CID 65245608
5-fluoro-1-(3-methylsulfanylbutyl)benzimidazol-2-amine
CID 113494111
3-[(4,5-dimethylthiophen-2-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79293783
3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile
CID 62314956
5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
CID 54919875
6-bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine
CID 116738217
1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine
CID 106008088
5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 63240191
1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine
CID 43662075
5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine
CID 62993390

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethylthiophen-2-yl)methyl]-5-fluorobenzimidazol-2-amine?
The IUPAC name of 1-[(4,5-dimethylthiophen-2-yl)methyl]-5-fluorobenzimidazol-2-amine (CID 65245395) is 1-[(4,5-dimethylthiophen-2-yl)methyl]-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-[(4,5-dimethylthiophen-2-yl)methyl]-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-[(4,5-dimethylthiophen-2-yl)methyl]-5-fluorobenzimidazol-2-amine is Cc1cc(Cn2c(N)nc3cc(F)ccc32)sc1C.
What is the InChIKey of 1-[(4,5-dimethylthiophen-2-yl)methyl]-5-fluorobenzimidazol-2-amine?
The InChIKey is MEWXWZPXBRZOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c1-8-5-11(19-9(8)2)7-18-13-4-3-10(15)6-12(13)17-14(18)16/h3-6H,7H2,1-2H3,(H2,16,17).
What are the key properties of 1-[(4,5-dimethylthiophen-2-yl)methyl]-5-fluorobenzimidazol-2-amine?
1-[(4,5-dimethylthiophen-2-yl)methyl]-5-fluorobenzimidazol-2-amine has a molecular weight of 275.35 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethylthiophen-2-yl)methyl]-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 65245395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).