1-(2-chlorophenyl)-5-pentan-3-yl-4,5-dihydroimidazol-2-amine

C14H20ClN3 — CID 79505124

IUPAC1-(2-chlorophenyl)-5-pentan-3-yl-4,5-dihydroimidazol-2-amine
SMILESCCC(CC)C1CN=C(N)N1c1ccccc1Cl
InChIInChI=1S/C14H20ClN3/c1-3-10(4-2)13-9-17-14(16)18(13)12-8-6-5-7-11(12)15/h5-8,10,13H,3-4,9H2,1-2H3,(H2,16,17)
InChIKeyWELQWMSDHHLVHQ-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.28
Rot. Bonds4

About 1-(2-chlorophenyl)-5-pentan-3-yl-4,5-dihydroimidazol-2-amine

1-(2-chlorophenyl)-5-pentan-3-yl-4,5-dihydroimidazol-2-amine (PubChem CID 79505124) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-pentan-3-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-pentan-3-yl-4,5-dihydroimidazol-2-amine
PubChem CID79505124
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name1-(2-chlorophenyl)-5-pentan-3-yl-4,5-dihydroimidazol-2-amine
SMILESCCC(CC)C1CN=C(N)N1c1ccccc1Cl
InChIInChI=1S/C14H20ClN3/c1-3-10(4-2)13-9-17-14(16)18(13)12-8-6-5-7-11(12)15/h5-8,10,13H,3-4,9H2,1-2H3,(H2,16,17)
InChIKeyWELQWMSDHHLVHQ-UHFFFAOYSA-N
XLogP3.28
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine
CID 79505797
1-(2-chlorophenyl)-5-(2,6-difluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79499907
5-(2-bromophenyl)-1-(2-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79505348
1-(2-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-4,5-dihydroimidazol-2-amine
CID 79505801
1-(2-chlorophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
CID 79595255
1-(2-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine
CID 79505650
5-butan-2-yl-1-(4-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79521278
1-(2-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79499908
5-(3-bromophenyl)-1-(2-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79504670
5-(3,4-dichlorophenyl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79499865
5-methyl-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79505477
1-(2-methoxyethyl)-5-pentan-3-yl-4,5-dihydroimidazol-2-amine
CID 79505606

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-pentan-3-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-5-pentan-3-yl-4,5-dihydroimidazol-2-amine (CID 79505124) is 1-(2-chlorophenyl)-5-pentan-3-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-5-pentan-3-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-5-pentan-3-yl-4,5-dihydroimidazol-2-amine is CCC(CC)C1CN=C(N)N1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-pentan-3-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is WELQWMSDHHLVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-3-10(4-2)13-9-17-14(16)18(13)12-8-6-5-7-11(12)15/h5-8,10,13H,3-4,9H2,1-2H3,(H2,16,17).
What are the key properties of 1-(2-chlorophenyl)-5-pentan-3-yl-4,5-dihydroimidazol-2-amine?
1-(2-chlorophenyl)-5-pentan-3-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 265.79 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-pentan-3-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79505124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).