6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine

C12H11FN4S — CID 103294777

IUPAC6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine
SMILESCc1csc(CNc2nc3ccc(F)cc3[nH]2)n1
InChIInChI=1S/C12H11FN4S/c1-7-6-18-11(15-7)5-14-12-16-9-3-2-8(13)4-10(9)17-12/h2-4,6H,5H2,1H3,(H2,14,16,17)
InChIKeyCHHYUWASLGQTDU-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.08
Rot. Bonds3

About 6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine

6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine (PubChem CID 103294777) has the molecular formula C12H11FN4S and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine
PubChem CID103294777
Molecular FormulaC12H11FN4S
Molecular Weight262.31 g/mol
Exact Mass262.07
IUPAC Name6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine
SMILESCc1csc(CNc2nc3ccc(F)cc3[nH]2)n1
InChIInChI=1S/C12H11FN4S/c1-7-6-18-11(15-7)5-14-12-16-9-3-2-8(13)4-10(9)17-12/h2-4,6H,5H2,1H3,(H2,14,16,17)
InChIKeyCHHYUWASLGQTDU-UHFFFAOYSA-N
XLogP3.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine
CID 103295035
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
1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 103295277
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
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825
6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
CID 103294952
6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
CID 103295135
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1H-benzimidazol-2-amine
CID 133410036
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-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine (CID 103294777) is 6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine is Cc1csc(CNc2nc3ccc(F)cc3[nH]2)n1.
What is the InChIKey of 6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine?
The InChIKey is CHHYUWASLGQTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4S/c1-7-6-18-11(15-7)5-14-12-16-9-3-2-8(13)4-10(9)17-12/h2-4,6H,5H2,1H3,(H2,14,16,17).
What are the key properties of 6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine?
6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine has a molecular weight of 262.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 103294777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).