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

C13H14F3N3 — CID 80711654

IUPACN-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine
SMILESCn1c(CNC2CC2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H14F3N3/c1-19-11-5-2-8(13(14,15)16)6-10(11)18-12(19)7-17-9-3-4-9/h2,5-6,9,17H,3-4,7H2,1H3
InChIKeyFPLRLCKSGZLEEK-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.84
Rot. Bonds3

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

N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine (PubChem CID 80711654) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine
PubChem CID80711654
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine
SMILESCn1c(CNC2CC2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H14F3N3/c1-19-11-5-2-8(13(14,15)16)6-10(11)18-12(19)7-17-9-3-4-9/h2,5-6,9,17H,3-4,7H2,1H3
InChIKeyFPLRLCKSGZLEEK-UHFFFAOYSA-N
XLogP2.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine
CID 81455530
formic acid;N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]thian-3-amine
CID 154909430
N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60836537
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310390
2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole
CID 131948620
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide
CID 118778674
cis-(1R,3S)-3-amino-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclohexane-1-carboxamide
CID 118782599
N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 60665222
3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine
CID 120782241
(3R)-1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 97151495
4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine
CID 99577205
N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
CID 63001270

Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine (CID 80711654) is N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine is Cn1c(CNC2CC2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine?
The InChIKey is FPLRLCKSGZLEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-19-11-5-2-8(13(14,15)16)6-10(11)18-12(19)7-17-9-3-4-9/h2,5-6,9,17H,3-4,7H2,1H3.
What are the key properties of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine?
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine has a molecular weight of 269.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 80711654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).