N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine

C14H17ClFN3 — CID 63109276

IUPACN-[[2-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(Cc2c(F)cccc2Cl)[nH]1
InChIInChI=1S/C14H17ClFN3/c1-9(2)17-7-10-8-18-14(19-10)6-11-12(15)4-3-5-13(11)16/h3-5,8-9,17H,6-7H2,1-2H3,(H,18,19)
InChIKeyUOIFZANSRWYOLV-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.29
Rot. Bonds5

About N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine

N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 63109276) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID63109276
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC NameN-[[2-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(Cc2c(F)cccc2Cl)[nH]1
InChIInChI=1S/C14H17ClFN3/c1-9(2)17-7-10-8-18-14(19-10)6-11-12(15)4-3-5-13(11)16/h3-5,8-9,17H,6-7H2,1-2H3,(H,18,19)
InChIKeyUOIFZANSRWYOLV-UHFFFAOYSA-N
XLogP3.29
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
CID 55178056
N-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 63109629
N-[[2-[(2-methylphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
CID 55177477
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39443756
N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109262
(1R)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28517521
2-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79795368
5-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-4H-1,2,4-triazol-3-one
CID 171482338
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
CID 914011
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 63024387
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-1H-benzimidazole
CID 64724734

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine (CID 63109276) is N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(Cc2c(F)cccc2Cl)[nH]1.
What is the InChIKey of N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is UOIFZANSRWYOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-9(2)17-7-10-8-18-14(19-10)6-11-12(15)4-3-5-13(11)16/h3-5,8-9,17H,6-7H2,1-2H3,(H,18,19).
What are the key properties of N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine?
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 281.76 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 63109276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).