1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol

C19H19Cl2N3O — CID 3068301

IUPAC1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol
SMILESOC(CNCc1ccccc1)(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N3O/c20-16-6-7-17(18(21)10-16)19(25,13-24-9-8-22-14-24)12-23-11-15-4-2-1-3-5-15/h1-10,14,23,25H,11-13H2
InChIKeyNQIHXCMHYYBEIV-UHFFFAOYSA-N
MW376.29 g/mol
LogP3.87
Rot. Bonds7

About 1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol

1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol (PubChem CID 3068301) has the molecular formula C19H19Cl2N3O and a molecular weight of 376.29 g/mol. Its IUPAC name is 1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol
PubChem CID3068301
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC Name1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol
SMILESOC(CNCc1ccccc1)(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N3O/c20-16-6-7-17(18(21)10-16)19(25,13-24-9-8-22-14-24)12-23-11-15-4-2-1-3-5-15/h1-10,14,23,25H,11-13H2
InChIKeyNQIHXCMHYYBEIV-UHFFFAOYSA-N
XLogP3.87
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
CID 13269114
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 3068311
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol
CID 13058890
2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride
CID 70569120
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol
CID 70480605
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-morpholin-4-ylpropan-2-ol
CID 13189528
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol
CID 3068282
1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 20519458
(2S)-1-butylsulfanyl-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol;hydrochloride
CID 70472519
2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol
CID 14076108
4-(2,4-dichlorophenyl)-4-hydroxy-5-imidazol-1-yl-3-sulfanylpentanoic acid
CID 88691821
2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid
CID 70550084

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol?
The IUPAC name of 1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol (CID 3068301) is 1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol is OC(CNCc1ccccc1)(Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol?
The InChIKey is NQIHXCMHYYBEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O/c20-16-6-7-17(18(21)10-16)19(25,13-24-9-8-22-14-24)12-23-11-15-4-2-1-3-5-15/h1-10,14,23,25H,11-13H2.
What are the key properties of 1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol?
1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol has a molecular weight of 376.29 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol is sourced from PubChem (CID 3068301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).