1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3-dihydroindol-7-amine

C13H14F2N4 — CID 114456196

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(Cc1nccn1C(F)F)CC2
InChIInChI=1S/C13H14F2N4/c14-13(15)19-7-5-17-11(19)8-18-6-4-9-2-1-3-10(16)12(9)18/h1-3,5,7,13H,4,6,8,16H2
InChIKeyIUGXVFKQDBOUCM-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.42
Rot. Bonds3

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3-dihydroindol-7-amine

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3-dihydroindol-7-amine (PubChem CID 114456196) has the molecular formula C13H14F2N4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3-dihydroindol-7-amine
PubChem CID114456196
Molecular FormulaC13H14F2N4
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(Cc1nccn1C(F)F)CC2
InChIInChI=1S/C13H14F2N4/c14-13(15)19-7-5-17-11(19)8-18-6-4-9-2-1-3-10(16)12(9)18/h1-3,5,7,13H,4,6,8,16H2
InChIKeyIUGXVFKQDBOUCM-UHFFFAOYSA-N
XLogP2.42
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine
CID 114930849
2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]aniline
CID 43144094
5-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 115311321
1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine
CID 106994975
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 71900678
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 104558374
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine
CID 114456501
1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine
CID 114456594
1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine
CID 61493848
1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine
CID 114456237
1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine
CID 114456381
3-(7-amino-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 114456468

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3-dihydroindol-7-amine?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3-dihydroindol-7-amine (CID 114456196) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3-dihydroindol-7-amine is Nc1cccc2c1N(Cc1nccn1C(F)F)CC2.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3-dihydroindol-7-amine?
The InChIKey is IUGXVFKQDBOUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4/c14-13(15)19-7-5-17-11(19)8-18-6-4-9-2-1-3-10(16)12(9)18/h1-3,5,7,13H,4,6,8,16H2.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3-dihydroindol-7-amine?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3-dihydroindol-7-amine has a molecular weight of 264.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3-dihydroindol-7-amine is sourced from PubChem (CID 114456196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).