N-(2-chlorophenyl)-1-methyl-5-phenyl-4,5-dihydroimidazol-2-amine;hydrochloride

C16H17Cl2N3 — CID 3028787

IUPACN-(2-chlorophenyl)-1-methyl-5-phenyl-4,5-dihydroimidazol-2-amine;hydrochloride
SMILESCN1C(Nc2ccccc2Cl)=NCC1c1ccccc1.Cl
InChIInChI=1S/C16H16ClN3.ClH/c1-20-15(12-7-3-2-4-8-12)11-18-16(20)19-14-10-6-5-9-13(14)17;/h2-10,15H,11H2,1H3,(H,18,19);1H
InChIKeyZAOJWTFVKLLRBX-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.22
Rot. Bonds2

About N-(2-chlorophenyl)-1-methyl-5-phenyl-4,5-dihydroimidazol-2-amine;hydrochloride

N-(2-chlorophenyl)-1-methyl-5-phenyl-4,5-dihydroimidazol-2-amine;hydrochloride (PubChem CID 3028787) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-methyl-5-phenyl-4,5-dihydroimidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-methyl-5-phenyl-4,5-dihydroimidazol-2-amine;hydrochloride
PubChem CID3028787
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC NameN-(2-chlorophenyl)-1-methyl-5-phenyl-4,5-dihydroimidazol-2-amine;hydrochloride
SMILESCN1C(Nc2ccccc2Cl)=NCC1c1ccccc1.Cl
InChIInChI=1S/C16H16ClN3.ClH/c1-20-15(12-7-3-2-4-8-12)11-18-16(20)19-14-10-6-5-9-13(14)17;/h2-10,15H,11H2,1H3,(H,18,19);1H
InChIKeyZAOJWTFVKLLRBX-UHFFFAOYSA-N
XLogP4.22
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-methyl-5-phenyl-4,5-dihydroimidazol-2-amine;hydrochloride?
The IUPAC name of N-(2-chlorophenyl)-1-methyl-5-phenyl-4,5-dihydroimidazol-2-amine;hydrochloride (CID 3028787) is N-(2-chlorophenyl)-1-methyl-5-phenyl-4,5-dihydroimidazol-2-amine;hydrochloride.
What is the SMILES notation for N-(2-chlorophenyl)-1-methyl-5-phenyl-4,5-dihydroimidazol-2-amine;hydrochloride?
The canonical SMILES for N-(2-chlorophenyl)-1-methyl-5-phenyl-4,5-dihydroimidazol-2-amine;hydrochloride is CN1C(Nc2ccccc2Cl)=NCC1c1ccccc1.Cl.
What is the InChIKey of N-(2-chlorophenyl)-1-methyl-5-phenyl-4,5-dihydroimidazol-2-amine;hydrochloride?
The InChIKey is ZAOJWTFVKLLRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3.ClH/c1-20-15(12-7-3-2-4-8-12)11-18-16(20)19-14-10-6-5-9-13(14)17;/h2-10,15H,11H2,1H3,(H,18,19);1H.
What are the key properties of N-(2-chlorophenyl)-1-methyl-5-phenyl-4,5-dihydroimidazol-2-amine;hydrochloride?
N-(2-chlorophenyl)-1-methyl-5-phenyl-4,5-dihydroimidazol-2-amine;hydrochloride has a molecular weight of 322.24 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-methyl-5-phenyl-4,5-dihydroimidazol-2-amine;hydrochloride is sourced from PubChem (CID 3028787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).