1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine

C13H14FN5 — CID 54920207

IUPAC1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine
SMILESCn1c(C(N)Cc2cnc[nH]2)nc2c(F)cccc21
InChIInChI=1S/C13H14FN5/c1-19-11-4-2-3-9(14)12(11)18-13(19)10(15)5-8-6-16-7-17-8/h2-4,6-7,10H,5,15H2,1H3,(H,16,17)
InChIKeyQVWRHBFPGIWMTL-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.68
Rot. Bonds3

About 1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine

1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 54920207) has the molecular formula C13H14FN5 and a molecular weight of 259.29 g/mol. Its IUPAC name is 1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine
PubChem CID54920207
Molecular FormulaC13H14FN5
Molecular Weight259.29 g/mol
Exact Mass259.12
IUPAC Name1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine
SMILESCn1c(C(N)Cc2cnc[nH]2)nc2c(F)cccc21
InChIInChI=1S/C13H14FN5/c1-19-11-4-2-3-9(14)12(11)18-13(19)10(15)5-8-6-16-7-17-8/h2-4,6-7,10H,5,15H2,1H3,(H,16,17)
InChIKeyQVWRHBFPGIWMTL-UHFFFAOYSA-N
XLogP1.68
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutan-1-amine
CID 60783668
N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 168925054
cyclopropyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62697258
2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 62694253
(1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104895424
ethyl 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate
CID 79474721
(1S)-1-[5-[(4-fluorophenoxy)methyl]-2-propyl-1,2,4-triazol-3-yl]-2-(1H-imidazol-5-yl)ethanamine;dihydrochloride
CID 154915307
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
(1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104895409
(1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine
CID 165485208
2-(1H-imidazol-5-yl)-1-(7-methyl-1,3-benzoxazol-2-yl)ethanamine
CID 79602794
(1S)-2-(1H-imidazol-5-yl)-1-[5-(2-methylpropyl)-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethanamine
CID 131931148

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of 1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine (CID 54920207) is 1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine is Cn1c(C(N)Cc2cnc[nH]2)nc2c(F)cccc21.
What is the InChIKey of 1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is QVWRHBFPGIWMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5/c1-19-11-4-2-3-9(14)12(11)18-13(19)10(15)5-8-6-16-7-17-8/h2-4,6-7,10H,5,15H2,1H3,(H,16,17).
What are the key properties of 1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine?
1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 259.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 54920207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).