1-methyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole-3-carboximidamide

C15H14F3N3 — CID 155408394

IUPAC1-methyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole-3-carboximidamide
SMILES[H]/N=C(\N)N1CC(C)c2c1ccc1c(C(F)(F)F)cccc21
InChIInChI=1S/C15H14F3N3/c1-8-7-21(14(19)20)12-6-5-9-10(13(8)12)3-2-4-11(9)15(16,17)18/h2-6,8H,7H2,1H3,(H3,19,20)
InChIKeyWUEHGRMPYIEMQN-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.68
Rot. Bonds

About 1-methyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole-3-carboximidamide

1-methyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole-3-carboximidamide (PubChem CID 155408394) has the molecular formula C15H14F3N3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-methyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole-3-carboximidamide.

Molecular Properties

Compound Name1-methyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole-3-carboximidamide
PubChem CID155408394
Molecular FormulaC15H14F3N3
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name1-methyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole-3-carboximidamide
SMILES[H]/N=C(\N)N1CC(C)c2c1ccc1c(C(F)(F)F)cccc21
InChIInChI=1S/C15H14F3N3/c1-8-7-21(14(19)20)12-6-5-9-10(13(8)12)3-2-4-11(9)15(16,17)18/h2-6,8H,7H2,1H3,(H3,19,20)
InChIKeyWUEHGRMPYIEMQN-UHFFFAOYSA-N
XLogP3.68
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole-3-carboximidamide?
The IUPAC name of 1-methyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole-3-carboximidamide (CID 155408394) is 1-methyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole-3-carboximidamide.
What is the SMILES notation for 1-methyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole-3-carboximidamide?
The canonical SMILES for 1-methyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole-3-carboximidamide is [H]/N=C(\N)N1CC(C)c2c1ccc1c(C(F)(F)F)cccc21.
What is the InChIKey of 1-methyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole-3-carboximidamide?
The InChIKey is WUEHGRMPYIEMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3/c1-8-7-21(14(19)20)12-6-5-9-10(13(8)12)3-2-4-11(9)15(16,17)18/h2-6,8H,7H2,1H3,(H3,19,20).
What are the key properties of 1-methyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole-3-carboximidamide?
1-methyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole-3-carboximidamide has a molecular weight of 293.29 g/mol, XLogP of 3.68, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole-3-carboximidamide is sourced from PubChem (CID 155408394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).