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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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).