1-[3-(4-fluorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine;hydrochloride

C20H25ClFN3O — CID 146051182

IUPAC1-[3-(4-fluorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine;hydrochloride
SMILESCl.[H]/N=c1\n(CCCOc2ccc(F)cc2)c2ccccc2n1CC(C)C
InChIInChI=1S/C20H24FN3O.ClH/c1-15(2)14-24-19-7-4-3-6-18(19)23(20(24)22)12-5-13-25-17-10-8-16(21)9-11-17;/h3-4,6-11,15,22H,5,12-14H2,1-2H3;1H/b22-20+;
InChIKeyIFAKKRHQBKJXJJ-QPNALZDCSA-N
MW377.89 g/mol
LogP4.61
Rot. Bonds7

About 1-[3-(4-fluorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine;hydrochloride

1-[3-(4-fluorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine;hydrochloride (PubChem CID 146051182) has the molecular formula C20H25ClFN3O and a molecular weight of 377.89 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine;hydrochloride.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine;hydrochloride
PubChem CID146051182
Molecular FormulaC20H25ClFN3O
Molecular Weight377.89 g/mol
Exact Mass377.17
IUPAC Name1-[3-(4-fluorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine;hydrochloride
SMILESCl.[H]/N=c1\n(CCCOc2ccc(F)cc2)c2ccccc2n1CC(C)C
InChIInChI=1S/C20H24FN3O.ClH/c1-15(2)14-24-19-7-4-3-6-18(19)23(20(24)22)12-5-13-25-17-10-8-16(21)9-11-17;/h3-4,6-11,15,22H,5,12-14H2,1-2H3;1H/b22-20+;
InChIKeyIFAKKRHQBKJXJJ-QPNALZDCSA-N
XLogP4.61
TPSA42.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-chlorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine
CID 17272669
1-ethyl-3-[3-(4-fluorophenoxy)propyl]benzimidazol-2-imine;hydrochloride
CID 146051181
1-ethyl-3-[3-(4-fluorophenoxy)propyl]benzimidazol-2-imine
CID 22332685
1-[3-(4-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]benzimidazol-2-imine
CID 17272675
1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272709
(2S)-1-(3-butyl-2-iminobenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 28593377
1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 762258
1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3356244
1-[2-(4-methylphenoxy)ethyl]-3-propan-2-ylbenzimidazol-2-imine
CID 949113
1-[2-(4-bromophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272705
CID 89060794
CID 89060794
1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3778765

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine;hydrochloride?
The IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine;hydrochloride (CID 146051182) is 1-[3-(4-fluorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine;hydrochloride.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine;hydrochloride?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine;hydrochloride is Cl.[H]/N=c1\n(CCCOc2ccc(F)cc2)c2ccccc2n1CC(C)C.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine;hydrochloride?
The InChIKey is IFAKKRHQBKJXJJ-QPNALZDCSA-N. The full InChI is InChI=1S/C20H24FN3O.ClH/c1-15(2)14-24-19-7-4-3-6-18(19)23(20(24)22)12-5-13-25-17-10-8-16(21)9-11-17;/h3-4,6-11,15,22H,5,12-14H2,1-2H3;1H/b22-20+;.
What are the key properties of 1-[3-(4-fluorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine;hydrochloride?
1-[3-(4-fluorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine;hydrochloride has a molecular weight of 377.89 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine;hydrochloride is sourced from PubChem (CID 146051182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).