N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine

C18H16Cl2FN3 — CID 166200018

IUPACN-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1C(NCc1cccc(Cl)c1Cl)c1ccc(F)cc1
InChIInChI=1S/C18H16Cl2FN3/c1-24-10-9-22-18(24)17(12-5-7-14(21)8-6-12)23-11-13-3-2-4-15(19)16(13)20/h2-10,17,23H,11H2,1H3
InChIKeyLYCVIXNFDDPWIE-UHFFFAOYSA-N
MW364.25 g/mol
LogP4.75
Rot. Bonds5

About N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine

N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 166200018) has the molecular formula C18H16Cl2FN3 and a molecular weight of 364.25 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
PubChem CID166200018
Molecular FormulaC18H16Cl2FN3
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1C(NCc1cccc(Cl)c1Cl)c1ccc(F)cc1
InChIInChI=1S/C18H16Cl2FN3/c1-24-10-9-22-18(24)17(12-5-7-14(21)8-6-12)23-11-13-3-2-4-15(19)16(13)20/h2-10,17,23H,11H2,1H3
InChIKeyLYCVIXNFDDPWIE-UHFFFAOYSA-N
XLogP4.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 43077995
N-[(2,4-difluorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 47030534
(1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 92854408
[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105192712
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
CID 51331957
(1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine
CID 92854425
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
1-(4-fluorophenyl)-2-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 110883509
N-[(2-chloro-3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 81462073
2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 105395359

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine (CID 166200018) is N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine is Cn1ccnc1C(NCc1cccc(Cl)c1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is LYCVIXNFDDPWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FN3/c1-24-10-9-22-18(24)17(12-5-7-14(21)8-6-12)23-11-13-3-2-4-15(19)16(13)20/h2-10,17,23H,11H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine?
N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 364.25 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 166200018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).