N-[[1-(4-chlorophenyl)-4-[(1-methylbenzimidazol-2-yl)methoxymethyl]imidazol-2-yl]methyl]-4-fluoro-N-methylaniline

C27H25ClFN5O — CID 11329313

IUPACN-[[1-(4-chlorophenyl)-4-[(1-methylbenzimidazol-2-yl)methoxymethyl]imidazol-2-yl]methyl]-4-fluoro-N-methylaniline
SMILESCN(Cc1nc(COCc2nc3ccccc3n2C)cn1-c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C27H25ClFN5O/c1-32(22-13-9-20(29)10-14-22)16-26-30-21(15-34(26)23-11-7-19(28)8-12-23)17-35-18-27-31-24-5-3-4-6-25(24)33(27)2/h3-15H,16-18H2,1-2H3
InChIKeyWBRNAZORZWHNRB-UHFFFAOYSA-N
MW489.98 g/mol
LogP5.90
Rot. Bonds8

About N-[[1-(4-chlorophenyl)-4-[(1-methylbenzimidazol-2-yl)methoxymethyl]imidazol-2-yl]methyl]-4-fluoro-N-methylaniline

N-[[1-(4-chlorophenyl)-4-[(1-methylbenzimidazol-2-yl)methoxymethyl]imidazol-2-yl]methyl]-4-fluoro-N-methylaniline (PubChem CID 11329313) has the molecular formula C27H25ClFN5O and a molecular weight of 489.98 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)-4-[(1-methylbenzimidazol-2-yl)methoxymethyl]imidazol-2-yl]methyl]-4-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)-4-[(1-methylbenzimidazol-2-yl)methoxymethyl]imidazol-2-yl]methyl]-4-fluoro-N-methylaniline
PubChem CID11329313
Molecular FormulaC27H25ClFN5O
Molecular Weight489.98 g/mol
Exact Mass489.17
IUPAC NameN-[[1-(4-chlorophenyl)-4-[(1-methylbenzimidazol-2-yl)methoxymethyl]imidazol-2-yl]methyl]-4-fluoro-N-methylaniline
SMILESCN(Cc1nc(COCc2nc3ccccc3n2C)cn1-c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C27H25ClFN5O/c1-32(22-13-9-20(29)10-14-22)16-26-30-21(15-34(26)23-11-7-19(28)8-12-23)17-35-18-27-31-24-5-3-4-6-25(24)33(27)2/h3-15H,16-18H2,1-2H3
InChIKeyWBRNAZORZWHNRB-UHFFFAOYSA-N
XLogP5.90
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.98
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methoxymethyl]-1-methylindole
CID 11294125
1-(4-chlorophenyl)-N-(4-fluorophenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]imidazole-2-carboxamide
CID 11339549
6-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine
CID 133346066
N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline
CID 75398519
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline
CID 2991404
(E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine
CID 22114991
1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol
CID 111916349
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 143552577
1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753862
(E)-N-benzyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine
CID 22114999
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 101152444

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)-4-[(1-methylbenzimidazol-2-yl)methoxymethyl]imidazol-2-yl]methyl]-4-fluoro-N-methylaniline?
The IUPAC name of N-[[1-(4-chlorophenyl)-4-[(1-methylbenzimidazol-2-yl)methoxymethyl]imidazol-2-yl]methyl]-4-fluoro-N-methylaniline (CID 11329313) is N-[[1-(4-chlorophenyl)-4-[(1-methylbenzimidazol-2-yl)methoxymethyl]imidazol-2-yl]methyl]-4-fluoro-N-methylaniline.
What is the SMILES notation for N-[[1-(4-chlorophenyl)-4-[(1-methylbenzimidazol-2-yl)methoxymethyl]imidazol-2-yl]methyl]-4-fluoro-N-methylaniline?
The canonical SMILES for N-[[1-(4-chlorophenyl)-4-[(1-methylbenzimidazol-2-yl)methoxymethyl]imidazol-2-yl]methyl]-4-fluoro-N-methylaniline is CN(Cc1nc(COCc2nc3ccccc3n2C)cn1-c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[[1-(4-chlorophenyl)-4-[(1-methylbenzimidazol-2-yl)methoxymethyl]imidazol-2-yl]methyl]-4-fluoro-N-methylaniline?
The InChIKey is WBRNAZORZWHNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN5O/c1-32(22-13-9-20(29)10-14-22)16-26-30-21(15-34(26)23-11-7-19(28)8-12-23)17-35-18-27-31-24-5-3-4-6-25(24)33(27)2/h3-15H,16-18H2,1-2H3.
What are the key properties of N-[[1-(4-chlorophenyl)-4-[(1-methylbenzimidazol-2-yl)methoxymethyl]imidazol-2-yl]methyl]-4-fluoro-N-methylaniline?
N-[[1-(4-chlorophenyl)-4-[(1-methylbenzimidazol-2-yl)methoxymethyl]imidazol-2-yl]methyl]-4-fluoro-N-methylaniline has a molecular weight of 489.98 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)-4-[(1-methylbenzimidazol-2-yl)methoxymethyl]imidazol-2-yl]methyl]-4-fluoro-N-methylaniline is sourced from PubChem (CID 11329313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).