N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine

C20H31F3N4 — CID 46309723

IUPACN-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine
SMILESCCCCN(CCCC)CCCn1c(CN)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C20H31F3N4/c1-3-5-10-26(11-6-4-2)12-7-13-27-18-9-8-16(20(21,22)23)14-17(18)25-19(27)15-24/h8-9,14H,3-7,10-13,15,24H2,1-2H3
InChIKeyLGHMJZDKHGHQRH-UHFFFAOYSA-N
MW384.49 g/mol
LogP4.81
Rot. Bonds11

About N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine

N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine (PubChem CID 46309723) has the molecular formula C20H31F3N4 and a molecular weight of 384.49 g/mol. Its IUPAC name is N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine.

Molecular Properties

Compound NameN-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine
PubChem CID46309723
Molecular FormulaC20H31F3N4
Molecular Weight384.49 g/mol
Exact Mass384.25
IUPAC NameN-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine
SMILESCCCCN(CCCC)CCCn1c(CN)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C20H31F3N4/c1-3-5-10-26(11-6-4-2)12-7-13-27-18-9-8-16(20(21,22)23)14-17(18)25-19(27)15-24/h8-9,14H,3-7,10-13,15,24H2,1-2H3
InChIKeyLGHMJZDKHGHQRH-UHFFFAOYSA-N
XLogP4.81
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine?
The IUPAC name of N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine (CID 46309723) is N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine.
What is the SMILES notation for N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine?
The canonical SMILES for N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine is CCCCN(CCCC)CCCn1c(CN)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine?
The InChIKey is LGHMJZDKHGHQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31F3N4/c1-3-5-10-26(11-6-4-2)12-7-13-27-18-9-8-16(20(21,22)23)14-17(18)25-19(27)15-24/h8-9,14H,3-7,10-13,15,24H2,1-2H3.
What are the key properties of N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine?
N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine has a molecular weight of 384.49 g/mol, XLogP of 4.81, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine is sourced from PubChem (CID 46309723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).