N-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine

C19H20ClN3 — CID 10042024

IUPACN-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine
SMILESCCC(Nc1ncc(-c2ccccc2)n1C)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3/c1-3-17(14-9-11-16(20)12-10-14)22-19-21-13-18(23(19)2)15-7-5-4-6-8-15/h4-13,17H,3H2,1-2H3,(H,21,22)
InChIKeySKXWHUZZZUAUTR-UHFFFAOYSA-N
MW325.84 g/mol
LogP5.30
Rot. Bonds5

About N-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine

N-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine (PubChem CID 10042024) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine
PubChem CID10042024
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC NameN-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine
SMILESCCC(Nc1ncc(-c2ccccc2)n1C)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3/c1-3-17(14-9-11-16(20)12-10-14)22-19-21-13-18(23(19)2)15-7-5-4-6-8-15/h4-13,17H,3H2,1-2H3,(H,21,22)
InChIKeySKXWHUZZZUAUTR-UHFFFAOYSA-N
XLogP5.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.84
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine (CID 10042024) is N-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine is CCC(Nc1ncc(-c2ccccc2)n1C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine?
The InChIKey is SKXWHUZZZUAUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/c1-3-17(14-9-11-16(20)12-10-14)22-19-21-13-18(23(19)2)15-7-5-4-6-8-15/h4-13,17H,3H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine?
N-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine has a molecular weight of 325.84 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine is sourced from PubChem (CID 10042024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).