N,N-diethyl-3-[2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine

C26H28F3N3 — CID 46308801

IUPACN,N-diethyl-3-[2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine
SMILESCCN(CC)CCCn1c(Cc2cccc3ccccc23)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C26H28F3N3/c1-3-31(4-2)15-8-16-32-24-14-13-21(26(27,28)29)18-23(24)30-25(32)17-20-11-7-10-19-9-5-6-12-22(19)20/h5-7,9-14,18H,3-4,8,15-17H2,1-2H3
InChIKeyJDGRAFWTDMZCBO-UHFFFAOYSA-N
MW439.53 g/mol
LogP6.53
Rot. Bonds8

About N,N-diethyl-3-[2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine

N,N-diethyl-3-[2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine (PubChem CID 46308801) has the molecular formula C26H28F3N3 and a molecular weight of 439.53 g/mol. Its IUPAC name is N,N-diethyl-3-[2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine
PubChem CID46308801
Molecular FormulaC26H28F3N3
Molecular Weight439.53 g/mol
Exact Mass439.22
IUPAC NameN,N-diethyl-3-[2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine
SMILESCCN(CC)CCCn1c(Cc2cccc3ccccc23)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C26H28F3N3/c1-3-31(4-2)15-8-16-32-24-14-13-21(26(27,28)29)18-23(24)30-25(32)17-20-11-7-10-19-9-5-6-12-22(19)20/h5-7,9-14,18H,3-4,8,15-17H2,1-2H3
InChIKeyJDGRAFWTDMZCBO-UHFFFAOYSA-N
XLogP6.53
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.53
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole
CID 46308666
N,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine
CID 155544312
3-[2-(benzotriazol-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 6481608
2-(naphthalen-1-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310556
[1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol
CID 46309336
N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine
CID 46309723
N-butyl-N-[3-[2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]butan-1-amine
CID 46309609
N-[3-[2-(3-aminopropyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine
CID 46309733
3-[1-[3-(dibutylamino)propyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
CID 46309614
3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 46308794
2-[2-[(2-chlorophenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylethanamine
CID 46309330
3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 46308922

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine?
The IUPAC name of N,N-diethyl-3-[2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine (CID 46308801) is N,N-diethyl-3-[2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine?
The canonical SMILES for N,N-diethyl-3-[2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine is CCN(CC)CCCn1c(Cc2cccc3ccccc23)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of N,N-diethyl-3-[2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine?
The InChIKey is JDGRAFWTDMZCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N3/c1-3-31(4-2)15-8-16-32-24-14-13-21(26(27,28)29)18-23(24)30-25(32)17-20-11-7-10-19-9-5-6-12-22(19)20/h5-7,9-14,18H,3-4,8,15-17H2,1-2H3.
What are the key properties of N,N-diethyl-3-[2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine?
N,N-diethyl-3-[2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine has a molecular weight of 439.53 g/mol, XLogP of 6.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine is sourced from PubChem (CID 46308801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).