2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine

C13H12FN3S — CID 114915475

IUPAC2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine
SMILESCc1csc(-c2nc3ccc(F)cc3n2C)c1N
InChIInChI=1S/C13H12FN3S/c1-7-6-18-12(11(7)15)13-16-9-4-3-8(14)5-10(9)17(13)2/h3-6H,15H2,1-2H3
InChIKeyGSBSRIWNIGJZCC-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.33
Rot. Bonds1

About 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine

2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine (PubChem CID 114915475) has the molecular formula C13H12FN3S and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine.

Molecular Properties

Compound Name2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine
PubChem CID114915475
Molecular FormulaC13H12FN3S
Molecular Weight261.33 g/mol
Exact Mass261.07
IUPAC Name2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine
SMILESCc1csc(-c2nc3ccc(F)cc3n2C)c1N
InChIInChI=1S/C13H12FN3S/c1-7-6-18-12(11(7)15)13-16-9-4-3-8(14)5-10(9)17(13)2/h3-6H,15H2,1-2H3
InChIKeyGSBSRIWNIGJZCC-UHFFFAOYSA-N
XLogP3.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915452
2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-iodoaniline
CID 63111015
2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol
CID 136872115
3-chloro-2-(6-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 63723607
2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915509
(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62377229
2-(6-fluoro-1-methylbenzimidazol-2-yl)butan-2-amine
CID 79799093
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942
4-[2-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-yl]aniline
CID 80549626
6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine
CID 79049822
1-(4-bromo-3-methylphenyl)-6-fluorobenzimidazol-2-amine
CID 62377352
2-(5-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 60783742

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine?
The IUPAC name of 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine (CID 114915475) is 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine.
What is the SMILES notation for 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine?
The canonical SMILES for 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine is Cc1csc(-c2nc3ccc(F)cc3n2C)c1N.
What is the InChIKey of 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine?
The InChIKey is GSBSRIWNIGJZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3S/c1-7-6-18-12(11(7)15)13-16-9-4-3-8(14)5-10(9)17(13)2/h3-6H,15H2,1-2H3.
What are the key properties of 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine?
2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine has a molecular weight of 261.33 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine is sourced from PubChem (CID 114915475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).