4-benzyl-1-[(2-chlorophenyl)methyl]imidazol-2-amine

C17H16ClN3 — CID 57327923

IUPAC4-benzyl-1-[(2-chlorophenyl)methyl]imidazol-2-amine
SMILESNc1nc(Cc2ccccc2)cn1Cc1ccccc1Cl
InChIInChI=1S/C17H16ClN3/c18-16-9-5-4-8-14(16)11-21-12-15(20-17(21)19)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,19,20)
InChIKeyLDCCDCSJHCDTPU-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.76
Rot. Bonds4

About 4-benzyl-1-[(2-chlorophenyl)methyl]imidazol-2-amine

4-benzyl-1-[(2-chlorophenyl)methyl]imidazol-2-amine (PubChem CID 57327923) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-benzyl-1-[(2-chlorophenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name4-benzyl-1-[(2-chlorophenyl)methyl]imidazol-2-amine
PubChem CID57327923
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name4-benzyl-1-[(2-chlorophenyl)methyl]imidazol-2-amine
SMILESNc1nc(Cc2ccccc2)cn1Cc1ccccc1Cl
InChIInChI=1S/C17H16ClN3/c18-16-9-5-4-8-14(16)11-21-12-15(20-17(21)19)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,19,20)
InChIKeyLDCCDCSJHCDTPU-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Clotrimazole
CID 2812
4-(4-Chlorophenyl)Imidazole
CID 448632
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
1-(4-chlorobenzyl)-1H-imidazole
CID 2779191
4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine
CID 2766552
1-(3-Chlorobenzyl)imidazole
CID 12229386
1-Methyl-5-phenyl-imidazol-2-amine
CID 1132927
5H-Imidazo(1,2-a)azepinium, 1-((2,4-dichlorophenyl)methyl)-6,7,8,9-tetrahydro-3-phenyl-, bromide
CID 11568649
1-(4-Fluorobenzyl)-5-phenyl-1H-imidazole
CID 45103808
1-(4-Chlorobenzyl)-5-phenyl-1H-imidazole
CID 45103809
3-(3-Chlorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
CID 118656319
6-Chloro-2-phenylimidazo[1,2-a]pyridine
CID 696181

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(2-chlorophenyl)methyl]imidazol-2-amine?
The IUPAC name of 4-benzyl-1-[(2-chlorophenyl)methyl]imidazol-2-amine (CID 57327923) is 4-benzyl-1-[(2-chlorophenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 4-benzyl-1-[(2-chlorophenyl)methyl]imidazol-2-amine?
The canonical SMILES for 4-benzyl-1-[(2-chlorophenyl)methyl]imidazol-2-amine is Nc1nc(Cc2ccccc2)cn1Cc1ccccc1Cl.
What is the InChIKey of 4-benzyl-1-[(2-chlorophenyl)methyl]imidazol-2-amine?
The InChIKey is LDCCDCSJHCDTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-16-9-5-4-8-14(16)11-21-12-15(20-17(21)19)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,19,20).
What are the key properties of 4-benzyl-1-[(2-chlorophenyl)methyl]imidazol-2-amine?
4-benzyl-1-[(2-chlorophenyl)methyl]imidazol-2-amine has a molecular weight of 297.79 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(2-chlorophenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 57327923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).