2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine

C17H23F3N4O — CID 46309591

IUPAC2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
SMILESNCCc1nc2cc(C(F)(F)F)ccc2n1CCCN1CCOCC1
InChIInChI=1S/C17H23F3N4O/c18-17(19,20)13-2-3-15-14(12-13)22-16(4-5-21)24(15)7-1-6-23-8-10-25-11-9-23/h2-3,12H,1,4-11,21H2
InChIKeyYPVSXIYAVDNKPE-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.28
Rot. Bonds6

About 2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine

2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine (PubChem CID 46309591) has the molecular formula C17H23F3N4O and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
PubChem CID46309591
Molecular FormulaC17H23F3N4O
Molecular Weight356.39 g/mol
Exact Mass356.18
IUPAC Name2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
SMILESNCCc1nc2cc(C(F)(F)F)ccc2n1CCCN1CCOCC1
InChIInChI=1S/C17H23F3N4O/c18-17(19,20)13-2-3-15-14(12-13)22-16(4-5-21)24(15)7-1-6-23-8-10-25-11-9-23/h2-3,12H,1,4-11,21H2
InChIKeyYPVSXIYAVDNKPE-UHFFFAOYSA-N
XLogP2.28
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Lerisetron
CID 65997
2-(Difluoromethyl)-1-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)-1H-benzimidazole
CID 11647372
Tecastemizole
CID 123618
Neo2734
CID 126582741
Pyrrol-3(2H)-one, 5-amino-1-benzyl)-4-(1-methyl-2-benzimidazolyl)-
CID 135519505
1-(3-Morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3157185
1-Benzyl-5-fluoro-2-piperazin-1-ylbenzimidazole
CID 9839681
2-(Difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine
CID 22036837
1-(2-methoxyethyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 5292997
1-[(1-Methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 4798604
N-[(1-benzyl-1H-benzimidazol-2-yl)methyl]-1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-amine
CID 658809
Zandelisib
CID 66571003

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine (CID 46309591) is 2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine is NCCc1nc2cc(C(F)(F)F)ccc2n1CCCN1CCOCC1.
What is the InChIKey of 2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The InChIKey is YPVSXIYAVDNKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O/c18-17(19,20)13-2-3-15-14(12-13)22-16(4-5-21)24(15)7-1-6-23-8-10-25-11-9-23/h2-3,12H,1,4-11,21H2.
What are the key properties of 2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine has a molecular weight of 356.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 46309591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).