N-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine

C24H24F2N4 — CID 46954094

IUPACN-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine
SMILESFc1ccc(-n2cccc2CN(CCCn2ccnc2)Cc2cccc(F)c2)cc1
InChIInChI=1S/C24H24F2N4/c25-21-7-9-23(10-8-21)30-14-2-6-24(30)18-29(13-3-12-28-15-11-27-19-28)17-20-4-1-5-22(26)16-20/h1-2,4-11,14-16,19H,3,12-13,17-18H2
InChIKeyDCWLKMSVBVEUEC-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.04
Rot. Bonds9

About N-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine

N-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 46954094) has the molecular formula C24H24F2N4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID46954094
Molecular FormulaC24H24F2N4
Molecular Weight406.48 g/mol
Exact Mass406.20
IUPAC NameN-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine
SMILESFc1ccc(-n2cccc2CN(CCCn2ccnc2)Cc2cccc(F)c2)cc1
InChIInChI=1S/C24H24F2N4/c25-21-7-9-23(10-8-21)30-14-2-6-24(30)18-29(13-3-12-28-15-11-27-19-28)17-20-4-1-5-22(26)16-20/h1-2,4-11,14-16,19H,3,12-13,17-18H2
InChIKeyDCWLKMSVBVEUEC-UHFFFAOYSA-N
XLogP5.04
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine
CID 46962079
5-[[(3-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671027
N-[(3-fluorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61070174
[benzyl(3-imidazol-1-ylpropyl)amino]methanol;prop-1-yne
CID 142002586
N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 46953713
3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol
CID 71176034
N-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-N-[(3-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171700538
3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine
CID 22744894
5-[[(2-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one
CID 46962084
3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
CID 46962062
N-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine
CID 16676966
N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 46998655

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine (CID 46954094) is N-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine is Fc1ccc(-n2cccc2CN(CCCn2ccnc2)Cc2cccc(F)c2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is DCWLKMSVBVEUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4/c25-21-7-9-23(10-8-21)30-14-2-6-24(30)18-29(13-3-12-28-15-11-27-19-28)17-20-4-1-5-22(26)16-20/h1-2,4-11,14-16,19H,3,12-13,17-18H2.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine?
N-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 406.48 g/mol, XLogP of 5.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 46954094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).