5-(4-chloro-2-fluorophenyl)-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine

C15H22ClFN4 — CID 114867790

IUPAC5-(4-chloro-2-fluorophenyl)-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCCN(CC)CCN1C(N)=NCC1c1ccc(Cl)cc1F
InChIInChI=1S/C15H22ClFN4/c1-3-20(4-2)7-8-21-14(10-19-15(21)18)12-6-5-11(16)9-13(12)17/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H2,18,19)
InChIKeyPRBBVXKUFLDFAF-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.49
Rot. Bonds6

About 5-(4-chloro-2-fluorophenyl)-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine

5-(4-chloro-2-fluorophenyl)-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine (PubChem CID 114867790) has the molecular formula C15H22ClFN4 and a molecular weight of 312.82 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine
PubChem CID114867790
Molecular FormulaC15H22ClFN4
Molecular Weight312.82 g/mol
Exact Mass312.15
IUPAC Name5-(4-chloro-2-fluorophenyl)-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCCN(CC)CCN1C(N)=NCC1c1ccc(Cl)cc1F
InChIInChI=1S/C15H22ClFN4/c1-3-20(4-2)7-8-21-14(10-19-15(21)18)12-6-5-11(16)9-13(12)17/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H2,18,19)
InChIKeyPRBBVXKUFLDFAF-UHFFFAOYSA-N
XLogP2.49
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(diethylamino)ethyl]-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79501998
5-(3,5-dichlorophenyl)-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine
CID 79501221
5-(3-chloro-4-methylphenyl)-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine
CID 106819329
1-butan-2-yl-5-(4-chloro-2-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 114867777
1-[2-(diethylamino)ethyl]-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
CID 79595911
1-[2-(diethylamino)ethyl]-5-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine
CID 79500886
1-[2-(diethylamino)ethyl]-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
CID 79515135
1-[2-(diethylamino)ethyl]-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79503034
5-(4-chloro-2-methylphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
CID 114076004
5-(4-chloro-2-fluorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
CID 114867836
5-(5-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 114867691
5-(3,5-dichlorophenyl)-1-propyl-4,5-dihydroimidazol-2-amine
CID 79509195

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine (CID 114867790) is 5-(4-chloro-2-fluorophenyl)-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine is CCN(CC)CCN1C(N)=NCC1c1ccc(Cl)cc1F.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is PRBBVXKUFLDFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN4/c1-3-20(4-2)7-8-21-14(10-19-15(21)18)12-6-5-11(16)9-13(12)17/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H2,18,19).
What are the key properties of 5-(4-chloro-2-fluorophenyl)-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine?
5-(4-chloro-2-fluorophenyl)-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 312.82 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 114867790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).