(E)-3-fluoro-2-(pyrido[1,2-a]benzimidazol-8-yloxymethyl)prop-2-en-1-amine;hydrochloride

C15H15ClFN3O — CID 175408426

IUPAC(E)-3-fluoro-2-(pyrido[1,2-a]benzimidazol-8-yloxymethyl)prop-2-en-1-amine;hydrochloride
SMILESCl.NC/C(=C\F)COc1ccc2nc3ccccn3c2c1
InChIInChI=1S/C15H14FN3O.ClH/c16-8-11(9-17)10-20-12-4-5-13-14(7-12)19-6-2-1-3-15(19)18-13;/h1-8H,9-10,17H2;1H/b11-8+;
InChIKeyPUBPMFHXSSQASG-YGCVIUNWSA-N
MW307.76 g/mol
LogP3.10
Rot. Bonds4

About (E)-3-fluoro-2-(pyrido[1,2-a]benzimidazol-8-yloxymethyl)prop-2-en-1-amine;hydrochloride

(E)-3-fluoro-2-(pyrido[1,2-a]benzimidazol-8-yloxymethyl)prop-2-en-1-amine;hydrochloride (PubChem CID 175408426) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is (E)-3-fluoro-2-(pyrido[1,2-a]benzimidazol-8-yloxymethyl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-3-fluoro-2-(pyrido[1,2-a]benzimidazol-8-yloxymethyl)prop-2-en-1-amine;hydrochloride
PubChem CID175408426
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name(E)-3-fluoro-2-(pyrido[1,2-a]benzimidazol-8-yloxymethyl)prop-2-en-1-amine;hydrochloride
SMILESCl.NC/C(=C\F)COc1ccc2nc3ccccn3c2c1
InChIInChI=1S/C15H14FN3O.ClH/c16-8-11(9-17)10-20-12-4-5-13-14(7-12)19-6-2-1-3-15(19)18-13;/h1-8H,9-10,17H2;1H/b11-8+;
InChIKeyPUBPMFHXSSQASG-YGCVIUNWSA-N
XLogP3.10
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (E)-3-fluoro-2-(pyrido[1,2-a]benzimidazol-8-yloxymethyl)prop-2-en-1-amine;hydrochloride with MolForge

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Related Compounds

3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine
CID 54223245
6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-benzyl-1,3-benzoxazol-2-amine
CID 146454125
(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine
CID 175408443
(E)-3-fluoro-2-[(4-pyrimidin-2-ylphenoxy)methyl]prop-2-en-1-amine;hydrochloride
CID 162309300
3-fluoro-2-[(4-pyrimidin-2-ylphenoxy)methyl]prop-2-en-1-amine
CID 142460811
6-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-(pyrimidin-2-ylmethyl)phthalazin-1-one
CID 175128018
(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine
CID 146492865
6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-propyl-1,3-benzothiazol-2-amine
CID 146453965
7-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-(pyrimidin-2-ylmethyl)quinazolin-4-one
CID 175132814
N-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide
CID 146492847
(E)-2-(1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indol-7-yloxymethyl)-3-fluoroprop-2-en-1-amine
CID 175408508
(E)-3-fluoro-2-[[4-(tetrazol-2-yl)phenoxy]methyl]prop-2-en-1-amine;hydrochloride
CID 157082066

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-(pyrido[1,2-a]benzimidazol-8-yloxymethyl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-3-fluoro-2-(pyrido[1,2-a]benzimidazol-8-yloxymethyl)prop-2-en-1-amine;hydrochloride (CID 175408426) is (E)-3-fluoro-2-(pyrido[1,2-a]benzimidazol-8-yloxymethyl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-3-fluoro-2-(pyrido[1,2-a]benzimidazol-8-yloxymethyl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-3-fluoro-2-(pyrido[1,2-a]benzimidazol-8-yloxymethyl)prop-2-en-1-amine;hydrochloride is Cl.NC/C(=C\F)COc1ccc2nc3ccccn3c2c1.
What is the InChIKey of (E)-3-fluoro-2-(pyrido[1,2-a]benzimidazol-8-yloxymethyl)prop-2-en-1-amine;hydrochloride?
The InChIKey is PUBPMFHXSSQASG-YGCVIUNWSA-N. The full InChI is InChI=1S/C15H14FN3O.ClH/c16-8-11(9-17)10-20-12-4-5-13-14(7-12)19-6-2-1-3-15(19)18-13;/h1-8H,9-10,17H2;1H/b11-8+;.
What are the key properties of (E)-3-fluoro-2-(pyrido[1,2-a]benzimidazol-8-yloxymethyl)prop-2-en-1-amine;hydrochloride?
(E)-3-fluoro-2-(pyrido[1,2-a]benzimidazol-8-yloxymethyl)prop-2-en-1-amine;hydrochloride has a molecular weight of 307.76 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-(pyrido[1,2-a]benzimidazol-8-yloxymethyl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 175408426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).