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

C19H22FN3S — CID 16677881

IUPACN-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2ccccc2F)s1
InChIInChI=1S/C19H22FN3S/c1-16-7-8-18(24-16)14-23(11-4-10-22-12-9-21-15-22)13-17-5-2-3-6-19(17)20/h2-3,5-9,12,15H,4,10-11,13-14H2,1H3
InChIKeyVPZIUERSWBFOTC-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.48
Rot. Bonds8

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

N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 16677881) has the molecular formula C19H22FN3S and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID16677881
Molecular FormulaC19H22FN3S
Molecular Weight343.47 g/mol
Exact Mass343.15
IUPAC NameN-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2ccccc2F)s1
InChIInChI=1S/C19H22FN3S/c1-16-7-8-18(24-16)14-23(11-4-10-22-12-9-21-15-22)13-17-5-2-3-6-19(17)20/h2-3,5-9,12,15H,4,10-11,13-14H2,1H3
InChIKeyVPZIUERSWBFOTC-UHFFFAOYSA-N
XLogP4.48
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine (CID 16677881) is N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine is Cc1ccc(CN(CCCn2ccnc2)Cc2ccccc2F)s1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is VPZIUERSWBFOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3S/c1-16-7-8-18(24-16)14-23(11-4-10-22-12-9-21-15-22)13-17-5-2-3-6-19(17)20/h2-3,5-9,12,15H,4,10-11,13-14H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 343.47 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 16677881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).