N-[[2-fluoro-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine

C24H21FN4 — CID 59316538

IUPACN-[[2-fluoro-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESFc1c(CNC2Cc3ccccc3C2)cccc1-c1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C24H21FN4/c25-23-20(14-26-21-12-16-5-1-2-6-17(16)13-21)9-4-10-22(23)18-7-3-8-19(11-18)24-27-15-28-29-24/h1-11,15,21,26H,12-14H2,(H,27,28,29)
InChIKeyZNEGTHPNJIPMCH-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.53
Rot. Bonds5

About N-[[2-fluoro-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine

N-[[2-fluoro-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 59316538) has the molecular formula C24H21FN4 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[[2-fluoro-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[[2-fluoro-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID59316538
Molecular FormulaC24H21FN4
Molecular Weight384.46 g/mol
Exact Mass384.18
IUPAC NameN-[[2-fluoro-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESFc1c(CNC2Cc3ccccc3C2)cccc1-c1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C24H21FN4/c25-23-20(14-26-21-12-16-5-1-2-6-17(16)13-21)9-4-10-22(23)18-7-3-8-19(11-18)24-27-15-28-29-24/h1-11,15,21,26H,12-14H2,(H,27,28,29)
InChIKeyZNEGTHPNJIPMCH-UHFFFAOYSA-N
XLogP4.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-fluoro-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine
CID 75497957
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride
CID 68603662
5-[3-[3-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorophenyl]phenyl]-1H-1,2,4-triazole;hydrochloride
CID 159516173
3-[3-[(cyclopropylamino)methyl]-2-fluorophenyl]-1H-indazole-5-carboxamide;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine
CID 157152862
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]-N'-methanimidoylbenzenecarboximidamide
CID 143629632
5-(3-fluorophenyl)-1H-1,2,4-triazole
CID 53264352
2-[(2-fluorophenyl)methyl]-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole
CID 158458323
N-[[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine;2,2,2-trifluoroacetic acid
CID 68603893
2-chloro-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide
CID 59316490
5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 81300561
1-[[(1R,2R)-2-phenylcyclopropyl]methyl]-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea
CID 97081626
4,5-diphenyl-2-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-1,3-oxazole
CID 20821491

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[[2-fluoro-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine (CID 59316538) is N-[[2-fluoro-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[[2-fluoro-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[[2-fluoro-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine is Fc1c(CNC2Cc3ccccc3C2)cccc1-c1cccc(-c2ncn[nH]2)c1.
What is the InChIKey of N-[[2-fluoro-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is ZNEGTHPNJIPMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4/c25-23-20(14-26-21-12-16-5-1-2-6-17(16)13-21)9-4-10-22(23)18-7-3-8-19(11-18)24-27-15-28-29-24/h1-11,15,21,26H,12-14H2,(H,27,28,29).
What are the key properties of N-[[2-fluoro-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
N-[[2-fluoro-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 384.46 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 59316538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).