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

C20H24FN3OS — CID 16676802

IUPACN-[(2-fluoro-5-methoxyphenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCOc1ccc(F)c(CN(CCCn2ccnc2)Cc2ccc(C)s2)c1
InChIInChI=1S/C20H24FN3OS/c1-16-4-6-19(26-16)14-24(10-3-9-23-11-8-22-15-23)13-17-12-18(25-2)5-7-20(17)21/h4-8,11-12,15H,3,9-10,13-14H2,1-2H3
InChIKeyOEMMFQWWDSPWMP-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.49
Rot. Bonds9

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

N-[(2-fluoro-5-methoxyphenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 16676802) has the molecular formula C20H24FN3OS and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(2-fluoro-5-methoxyphenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methoxyphenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID16676802
Molecular FormulaC20H24FN3OS
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC NameN-[(2-fluoro-5-methoxyphenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCOc1ccc(F)c(CN(CCCn2ccnc2)Cc2ccc(C)s2)c1
InChIInChI=1S/C20H24FN3OS/c1-16-4-6-19(26-16)14-24(10-3-9-23-11-8-22-15-23)13-17-12-18(25-2)5-7-20(17)21/h4-8,11-12,15H,3,9-10,13-14H2,1-2H3
InChIKeyOEMMFQWWDSPWMP-UHFFFAOYSA-N
XLogP4.49
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methoxyphenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-fluoro-5-methoxyphenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine (CID 16676802) is N-[(2-fluoro-5-methoxyphenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-fluoro-5-methoxyphenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-fluoro-5-methoxyphenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine is COc1ccc(F)c(CN(CCCn2ccnc2)Cc2ccc(C)s2)c1.
What is the InChIKey of N-[(2-fluoro-5-methoxyphenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is OEMMFQWWDSPWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3OS/c1-16-4-6-19(26-16)14-24(10-3-9-23-11-8-22-15-23)13-17-12-18(25-2)5-7-20(17)21/h4-8,11-12,15H,3,9-10,13-14H2,1-2H3.
What are the key properties of N-[(2-fluoro-5-methoxyphenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(2-fluoro-5-methoxyphenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 373.50 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methoxyphenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 16676802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).