N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine

C14H17ClFN3 — CID 100663003

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)Cn1ccnc1NCc1ccc(F)cc1Cl
InChIInChI=1S/C14H17ClFN3/c1-10(2)9-19-6-5-17-14(19)18-8-11-3-4-12(16)7-13(11)15/h3-7,10H,8-9H2,1-2H3,(H,17,18)
InChIKeyCWSYTHKLSCFBKE-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.94
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine

N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine (PubChem CID 100663003) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine
PubChem CID100663003
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)Cn1ccnc1NCc1ccc(F)cc1Cl
InChIInChI=1S/C14H17ClFN3/c1-10(2)9-19-6-5-17-14(19)18-8-11-3-4-12(16)7-13(11)15/h3-7,10H,8-9H2,1-2H3,(H,17,18)
InChIKeyCWSYTHKLSCFBKE-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine
CID 106570314
N-(4-chloro-2-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106568967
N-(2-chloro-6-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106582336
N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine
CID 106569127
N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62136767
N-(2,4-dichlorophenyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106556363
N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine
CID 106569801
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 28586559
N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 54958468
4-fluoro-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide
CID 84599040
1-(2-methylpropyl)-N-[(2-morpholin-4-ylphenyl)methyl]imidazol-2-amine
CID 100662984
N-[[1-[(2-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 55048857

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine (CID 100663003) is N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine is CC(C)Cn1ccnc1NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine?
The InChIKey is CWSYTHKLSCFBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-10(2)9-19-6-5-17-14(19)18-8-11-3-4-12(16)7-13(11)15/h3-7,10H,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine?
N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine has a molecular weight of 281.76 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 100663003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).