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

C16H16ClN3 — CID 79505655

IUPAC5-benzyl-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(Cc2ccccc2)N1c1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3/c17-13-7-4-8-14(10-13)20-15(11-19-16(20)18)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2,(H2,18,19)
InChIKeySLDOKRIOOPOZOU-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.09
Rot. Bonds3

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

5-benzyl-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79505655) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 5-benzyl-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-benzyl-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79505655
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name5-benzyl-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(Cc2ccccc2)N1c1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3/c17-13-7-4-8-14(10-13)20-15(11-19-16(20)18)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2,(H2,18,19)
InChIKeySLDOKRIOOPOZOU-UHFFFAOYSA-N
XLogP3.09
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-Chlorophenyl)-6-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
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1-(3-Chlorophenyl)-4-(3-phenylpropyl)piperazine
CID 4992580
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CID 10404620
N-(3-ethylphenyl)-N-methyl-N'-(2,5-dichlorophenyl)guanidine hydrochloride
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1-(2,5-Dichlorophenyl)-2-(3-ethylphenyl)-1-methylguanidine;hydrochloride
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1-(2,5-Dichlorophenyl)-3-(3-ethylphenyl)-1,3-dimethylguanidine;hydrochloride
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1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
CID 44529843
4-[(5-Chloro-2-methylphenyl)imino]-1-isopropyl-1,3-diazaspiro[4.5]decane-2-thione
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-benzyl-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine (CID 79505655) is 5-benzyl-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-benzyl-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-benzyl-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(Cc2ccccc2)N1c1cccc(Cl)c1.
What is the InChIKey of 5-benzyl-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is SLDOKRIOOPOZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c17-13-7-4-8-14(10-13)20-15(11-19-16(20)18)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2,(H2,18,19).
What are the key properties of 5-benzyl-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine?
5-benzyl-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 285.78 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79505655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).