3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-(trifluoromethyl)-1H-indole

C13H12F3N3 — CID 10149294

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-(trifluoromethyl)-1H-indole
SMILESCc1[nH]c2ccc(C(F)(F)F)cc2c1C1=NCCN1
InChIInChI=1S/C13H12F3N3/c1-7-11(12-17-4-5-18-12)9-6-8(13(14,15)16)2-3-10(9)19-7/h2-3,6,19H,4-5H2,1H3,(H,17,18)
InChIKeyQKDUXMJAOVSVGD-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.84
Rot. Bonds1

About 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-(trifluoromethyl)-1H-indole

3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-(trifluoromethyl)-1H-indole (PubChem CID 10149294) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-(trifluoromethyl)-1H-indole
PubChem CID10149294
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-(trifluoromethyl)-1H-indole
SMILESCc1[nH]c2ccc(C(F)(F)F)cc2c1C1=NCCN1
InChIInChI=1S/C13H12F3N3/c1-7-11(12-17-4-5-18-12)9-6-8(13(14,15)16)2-3-10(9)19-7/h2-3,6,19H,4-5H2,1H3,(H,17,18)
InChIKeyQKDUXMJAOVSVGD-UHFFFAOYSA-N
XLogP2.84
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-(trifluoromethyl)-1H-indole?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-(trifluoromethyl)-1H-indole (CID 10149294) is 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-(trifluoromethyl)-1H-indole?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-(trifluoromethyl)-1H-indole is Cc1[nH]c2ccc(C(F)(F)F)cc2c1C1=NCCN1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-(trifluoromethyl)-1H-indole?
The InChIKey is QKDUXMJAOVSVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c1-7-11(12-17-4-5-18-12)9-6-8(13(14,15)16)2-3-10(9)19-7/h2-3,6,19H,4-5H2,1H3,(H,17,18).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-(trifluoromethyl)-1H-indole?
3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-(trifluoromethyl)-1H-indole has a molecular weight of 267.25 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 10149294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).