N-[(5-fluoro-1-methylindol-3-yl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine

C24H27FN4O — CID 46962071

IUPACN-[(5-fluoro-1-methylindol-3-yl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccccc1CN(CCCn1ccnc1)Cc1cn(C)c2ccc(F)cc12
InChIInChI=1S/C24H27FN4O/c1-27-15-20(22-14-21(25)8-9-23(22)27)17-29(12-5-11-28-13-10-26-18-28)16-19-6-3-4-7-24(19)30-2/h3-4,6-10,13-15,18H,5,11-12,16-17H2,1-2H3
InChIKeyPMIZRVWBDCIXCV-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.61
Rot. Bonds9

About N-[(5-fluoro-1-methylindol-3-yl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine

N-[(5-fluoro-1-methylindol-3-yl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine (PubChem CID 46962071) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[(5-fluoro-1-methylindol-3-yl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-1-methylindol-3-yl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine
PubChem CID46962071
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC NameN-[(5-fluoro-1-methylindol-3-yl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccccc1CN(CCCn1ccnc1)Cc1cn(C)c2ccc(F)cc12
InChIInChI=1S/C24H27FN4O/c1-27-15-20(22-14-21(25)8-9-23(22)27)17-29(12-5-11-28-13-10-26-18-28)16-19-6-3-4-7-24(19)30-2/h3-4,6-10,13-15,18H,5,11-12,16-17H2,1-2H3
InChIKeyPMIZRVWBDCIXCV-UHFFFAOYSA-N
XLogP4.61
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]propan-1-amine
CID 16676748
3-(3,4-dichlorophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(2-methoxyphenyl)methyl]urea
CID 4204238
5-[[(2-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one
CID 46962084
3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine
CID 22744894
N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine
CID 46962079
N-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 46954094
1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine
CID 107701135
5-fluoro-1-(2-fluorophenyl)-3-(2-imidazol-1-ylethoxy)indazole
CID 127046799
N-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 166194272
4-chloro-N-(2,5-difluorophenyl)-N-[[2-(3-imidazol-1-ylpropoxy)-6-methoxyphenyl]methyl]benzenesulfonamide;hydrochloride
CID 22275873

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-methylindol-3-yl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-fluoro-1-methylindol-3-yl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine (CID 46962071) is N-[(5-fluoro-1-methylindol-3-yl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-1-methylindol-3-yl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-fluoro-1-methylindol-3-yl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine is COc1ccccc1CN(CCCn1ccnc1)Cc1cn(C)c2ccc(F)cc12.
What is the InChIKey of N-[(5-fluoro-1-methylindol-3-yl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is PMIZRVWBDCIXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c1-27-15-20(22-14-21(25)8-9-23(22)27)17-29(12-5-11-28-13-10-26-18-28)16-19-6-3-4-7-24(19)30-2/h3-4,6-10,13-15,18H,5,11-12,16-17H2,1-2H3.
What are the key properties of N-[(5-fluoro-1-methylindol-3-yl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine?
N-[(5-fluoro-1-methylindol-3-yl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 406.51 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-methylindol-3-yl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 46962071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).