1-(4-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutan-1-amine

C13H18FN3 — CID 60783668

IUPAC1-(4-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1nc2c(F)cccc2n1C
InChIInChI=1S/C13H18FN3/c1-8(2)7-10(15)13-16-12-9(14)5-4-6-11(12)17(13)3/h4-6,8,10H,7,15H2,1-3H3
InChIKeyUVISTWAXCGULIF-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.76
Rot. Bonds3

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

1-(4-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutan-1-amine (PubChem CID 60783668) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(4-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutan-1-amine
PubChem CID60783668
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name1-(4-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1nc2c(F)cccc2n1C
InChIInChI=1S/C13H18FN3/c1-8(2)7-10(15)13-16-12-9(14)5-4-6-11(12)17(13)3/h4-6,8,10H,7,15H2,1-3H3
InChIKeyUVISTWAXCGULIF-UHFFFAOYSA-N
XLogP2.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62697258
1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine
CID 54920207
cyclohexyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 54902054
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
ethyl 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate
CID 79474721
N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 63065892
2-(1-chloroethyl)-4-fluoro-1-(5-methylhexyl)benzimidazole
CID 115326584
(2R)-2-amino-N-(4-fluoro-1-methylbenzimidazol-2-yl)propanamide
CID 119338786
2-amino-1-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanol
CID 66165047
ethane;2-ethyl-4-fluoro-1-methylbenzimidazole
CID 176704050
3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine
CID 82335287
4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine
CID 104683343

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-(4-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutan-1-amine (CID 60783668) is 1-(4-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(4-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(4-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutan-1-amine is CC(C)CC(N)c1nc2c(F)cccc2n1C.
What is the InChIKey of 1-(4-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutan-1-amine?
The InChIKey is UVISTWAXCGULIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-8(2)7-10(15)13-16-12-9(14)5-4-6-11(12)17(13)3/h4-6,8,10H,7,15H2,1-3H3.
What are the key properties of 1-(4-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutan-1-amine?
1-(4-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutan-1-amine has a molecular weight of 235.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 60783668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).