(Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine

C17H15ClFN3O — CID 162369039

IUPAC(Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C/F)COc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C17H15ClFN3O/c18-13-3-6-15-16(7-13)22-17(21-15)12-1-4-14(5-2-12)23-10-11(8-19)9-20/h1-8H,9-10,20H2,(H,21,22)/b11-8-
InChIKeyGQWJJTZAOMCROR-FLIBITNWSA-N
MW331.78 g/mol
LogP4.07
Rot. Bonds5

About (Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine

(Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine (PubChem CID 162369039) has the molecular formula C17H15ClFN3O and a molecular weight of 331.78 g/mol. Its IUPAC name is (Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
PubChem CID162369039
Molecular FormulaC17H15ClFN3O
Molecular Weight331.78 g/mol
Exact Mass331.09
IUPAC Name(Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C/F)COc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C17H15ClFN3O/c18-13-3-6-15-16(7-13)22-17(21-15)12-1-4-14(5-2-12)23-10-11(8-19)9-20/h1-8H,9-10,20H2,(H,21,22)/b11-8-
InChIKeyGQWJJTZAOMCROR-FLIBITNWSA-N
XLogP4.07
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine with MolForge

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Related Compounds

2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid
CID 45408654
6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole
CID 25255675
3-fluoro-2-[(4-pyrimidin-2-ylphenoxy)methyl]prop-2-en-1-amine
CID 142460811
ethyl 2-[2-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetate
CID 103596999
(E)-3-fluoro-2-[(4-pyrimidin-2-ylphenoxy)methyl]prop-2-en-1-amine;hydrochloride
CID 162309300
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole
CID 60646324
(Z)-2-[[4-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369058
3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine
CID 54223245
(E)-2-[[4-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine;hydrochloride
CID 162324885
(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine
CID 175408443
2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol
CID 103597094

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of (Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine (CID 162369039) is (Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine is NC/C(=C/F)COc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of (Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is GQWJJTZAOMCROR-FLIBITNWSA-N. The full InChI is InChI=1S/C17H15ClFN3O/c18-13-3-6-15-16(7-13)22-17(21-15)12-1-4-14(5-2-12)23-10-11(8-19)9-20/h1-8H,9-10,20H2,(H,21,22)/b11-8-.
What are the key properties of (Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
(Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine has a molecular weight of 331.78 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 162369039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).