N-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine

C21H23ClFN3O — CID 16676966

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccccc1CN(CCCn1ccnc1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C21H23ClFN3O/c1-27-21-6-3-2-5-18(21)15-26(11-4-10-25-12-9-24-16-25)14-17-7-8-19(22)20(23)13-17/h2-3,5-9,12-13,16H,4,10-11,14-15H2,1H3
InChIKeyXGLWNPNPOYKGAT-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.78
Rot. Bonds9

About N-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine

N-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine (PubChem CID 16676966) has the molecular formula C21H23ClFN3O and a molecular weight of 387.89 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine
PubChem CID16676966
Molecular FormulaC21H23ClFN3O
Molecular Weight387.89 g/mol
Exact Mass387.15
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccccc1CN(CCCn1ccnc1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C21H23ClFN3O/c1-27-21-6-3-2-5-18(21)15-26(11-4-10-25-12-9-24-16-25)14-17-7-8-19(22)20(23)13-17/h2-3,5-9,12-13,16H,4,10-11,14-15H2,1H3
InChIKeyXGLWNPNPOYKGAT-UHFFFAOYSA-N
XLogP4.78
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-[(5-fluoro-1-methylindol-3-yl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine
CID 46962071
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
N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 16677797
3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine
CID 22744894
N-[(3,4-difluorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671123
1-[(2-chlorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(3-methoxyphenyl)thiourea
CID 4570004
N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 16677048
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine (CID 16676966) is N-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine is COc1ccccc1CN(CCCn1ccnc1)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is XGLWNPNPOYKGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O/c1-27-21-6-3-2-5-18(21)15-26(11-4-10-25-12-9-24-16-25)14-17-7-8-19(22)20(23)13-17/h2-3,5-9,12-13,16H,4,10-11,14-15H2,1H3.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine?
N-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 387.89 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 16676966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).