1-(4-chlorophenyl)-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine

C15H22ClN3 — CID 79521016

IUPAC1-(4-chlorophenyl)-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine
SMILESCC(C)CCC1(C)CN=C(N)N1c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3/c1-11(2)8-9-15(3)10-18-14(17)19(15)13-6-4-12(16)5-7-13/h4-7,11H,8-10H2,1-3H3,(H2,17,18)
InChIKeyKJPZYMBDHZDPNN-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.67
Rot. Bonds4

About 1-(4-chlorophenyl)-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine

1-(4-chlorophenyl)-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine (PubChem CID 79521016) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine
PubChem CID79521016
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name1-(4-chlorophenyl)-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine
SMILESCC(C)CCC1(C)CN=C(N)N1c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3/c1-11(2)8-9-15(3)10-18-14(17)19(15)13-6-4-12(16)5-7-13/h4-7,11H,8-10H2,1-3H3,(H2,17,18)
InChIKeyKJPZYMBDHZDPNN-UHFFFAOYSA-N
XLogP3.67
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine (CID 79521016) is 1-(4-chlorophenyl)-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine is CC(C)CCC1(C)CN=C(N)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine?
The InChIKey is KJPZYMBDHZDPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-11(2)8-9-15(3)10-18-14(17)19(15)13-6-4-12(16)5-7-13/h4-7,11H,8-10H2,1-3H3,(H2,17,18).
What are the key properties of 1-(4-chlorophenyl)-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine?
1-(4-chlorophenyl)-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine has a molecular weight of 279.81 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79521016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).