1,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-2-amine

C15H13Cl2N3 — CID 79521542

IUPAC1,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2N3/c16-11-3-1-10(2-4-11)14-9-19-15(18)20(14)13-7-5-12(17)6-8-13/h1-8,14H,9H2,(H2,18,19)
InChIKeyUUGLWTIQXJNSRO-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.87
Rot. Bonds2

About 1,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-2-amine

1,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79521542) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is 1,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79521542
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC Name1,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2N3/c16-11-3-1-10(2-4-11)14-9-19-15(18)20(14)13-7-5-12(17)6-8-13/h1-8,14H,9H2,(H2,18,19)
InChIKeyUUGLWTIQXJNSRO-UHFFFAOYSA-N
XLogP3.87
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-2-amine (CID 79521542) is 1,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1.
What is the InChIKey of 1,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is UUGLWTIQXJNSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c16-11-3-1-10(2-4-11)14-9-19-15(18)20(14)13-7-5-12(17)6-8-13/h1-8,14H,9H2,(H2,18,19).
What are the key properties of 1,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-2-amine?
1,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 306.20 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79521542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).