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

C19H21F2N3S — CID 16676725

IUPACN-[(2,5-difluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2cc(F)ccc2F)s1
InChIInChI=1S/C19H21F2N3S/c1-15-3-5-18(25-15)13-24(9-2-8-23-10-7-22-14-23)12-16-11-17(20)4-6-19(16)21/h3-7,10-11,14H,2,8-9,12-13H2,1H3
InChIKeyMMLFJPUYDSEOCT-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.62
Rot. Bonds8

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

N-[(2,5-difluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 16676725) has the molecular formula C19H21F2N3S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID16676725
Molecular FormulaC19H21F2N3S
Molecular Weight361.46 g/mol
Exact Mass361.14
IUPAC NameN-[(2,5-difluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2cc(F)ccc2F)s1
InChIInChI=1S/C19H21F2N3S/c1-15-3-5-18(25-15)13-24(9-2-8-23-10-7-22-14-23)12-16-11-17(20)4-6-19(16)21/h3-7,10-11,14H,2,8-9,12-13H2,1H3
InChIKeyMMLFJPUYDSEOCT-UHFFFAOYSA-N
XLogP4.62
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539905
1-[1-(4-Thiophen-3-ylphenyl)propyl]imidazole
CID 25099144
1-[1-(4-Thiophen-3-ylphenyl)ethyl]imidazole
CID 25099145
4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole
CID 446185
1-[1-[4-(2-Chlorothiophen-3-yl)phenyl]propyl]imidazole
CID 44456181
1-[1-[2-Fluoro-4-(4-methylthiophen-3-yl)phenyl]propyl]imidazole
CID 44456221
1-[1-[4-(4-Methylthiophen-3-yl)phenyl]propyl]imidazole
CID 44456224
(4-tert-Butyl-benzyl)-imidazol-1-yl-thiophen-2-ylmethyl-amine
CID 484458
1-((4-phenylthiophen-2-yl)methyl)-1H-imidazole
CID 44455927
rac-2-(3-(1-(1H-imidazol-1-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884239
1,3-dimethyl-2-[(E)-2-(4-phenylthiophen-2-yl)ethenyl]imidazol-1-ium iodide
CID 46906800
1-(5-Phenyl-thiophen-2-ylmethyl)-1H-imidazole
CID 53319147

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine (CID 16676725) is N-[(2,5-difluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine is Cc1ccc(CN(CCCn2ccnc2)Cc2cc(F)ccc2F)s1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is MMLFJPUYDSEOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3S/c1-15-3-5-18(25-15)13-24(9-2-8-23-10-7-22-14-23)12-16-11-17(20)4-6-19(16)21/h3-7,10-11,14H,2,8-9,12-13H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(2,5-difluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 361.46 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 16676725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).