N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine

C14H16F3N3 — CID 81455530

IUPACN-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine
SMILESCn1c(CCNC2CC2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H16F3N3/c1-20-12-5-2-9(14(15,16)17)8-11(12)19-13(20)6-7-18-10-3-4-10/h2,5,8,10,18H,3-4,6-7H2,1H3
InChIKeyHAUDRZBFNCVSID-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.89
Rot. Bonds4

About N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine

N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine (PubChem CID 81455530) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine
PubChem CID81455530
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine
SMILESCn1c(CCNC2CC2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H16F3N3/c1-20-12-5-2-9(14(15,16)17)8-11(12)19-13(20)6-7-18-10-3-4-10/h2,5,8,10,18H,3-4,6-7H2,1H3
InChIKeyHAUDRZBFNCVSID-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine (CID 81455530) is N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine is Cn1c(CCNC2CC2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is HAUDRZBFNCVSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-20-12-5-2-9(14(15,16)17)8-11(12)19-13(20)6-7-18-10-3-4-10/h2,5,8,10,18H,3-4,6-7H2,1H3.
What are the key properties of N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine?
N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 283.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 81455530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).