N-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine

C17H20FN3 — CID 106533217

IUPACN-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(-n2cnc3c2CCCC3)c1
InChIInChI=1S/C17H20FN3/c18-13-7-12(10-19-14-5-6-14)8-15(9-13)21-11-20-16-3-1-2-4-17(16)21/h7-9,11,14,19H,1-6,10H2
InChIKeyGSCNKJQMQQXMAY-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.14
Rot. Bonds4

About N-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine

N-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 106533217) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID106533217
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC NameN-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(-n2cnc3c2CCCC3)c1
InChIInChI=1S/C17H20FN3/c18-13-7-12(10-19-14-5-6-14)8-15(9-13)21-11-20-16-3-1-2-4-17(16)21/h7-9,11,14,19H,1-6,10H2
InChIKeyGSCNKJQMQQXMAY-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 106533126
N-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 105406417
N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533180
N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine
CID 106533112
N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106532828
N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106532790
N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106533057
N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106533016
N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 68801078
3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline
CID 106532184
N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62351103
N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 63943468

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine (CID 106533217) is N-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine is Fc1cc(CNC2CC2)cc(-n2cnc3c2CCCC3)c1.
What is the InChIKey of N-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is GSCNKJQMQQXMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c18-13-7-12(10-19-14-5-6-14)8-15(9-13)21-11-20-16-3-1-2-4-17(16)21/h7-9,11,14,19H,1-6,10H2.
What are the key properties of N-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 285.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106533217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).