[5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol

C17H14ClN3O3 — CID 15099361

IUPAC[5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol
SMILESO=[N+]([O-])c1ccc(Cn2c(-c3ccccc3)nc(Cl)c2CO)cc1
InChIInChI=1S/C17H14ClN3O3/c18-16-15(11-22)20(17(19-16)13-4-2-1-3-5-13)10-12-6-8-14(9-7-12)21(23)24/h1-9,22H,10-11H2
InChIKeyYQLWMABCNMGLBL-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.65
Rot. Bonds5

About [5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol

[5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol (PubChem CID 15099361) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is [5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol
PubChem CID15099361
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name[5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol
SMILESO=[N+]([O-])c1ccc(Cn2c(-c3ccccc3)nc(Cl)c2CO)cc1
InChIInChI=1S/C17H14ClN3O3/c18-16-15(11-22)20(17(19-16)13-4-2-1-3-5-13)10-12-6-8-14(9-7-12)21(23)24/h1-9,22H,10-11H2
InChIKeyYQLWMABCNMGLBL-UHFFFAOYSA-N
XLogP3.65
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5-chloro-3-[(4-chlorophenyl)methyl]-2-(4-nitrophenyl)imidazol-4-yl]acetic acid
CID 139725984
4-[(4-nitrophenyl)methyl]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 19010064
[2-butyl-5-chloro-3-[[4-[2-[1-(4-nitrophenyl)tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 19935781
3-benzyl-8-methyl-2-(4-nitrophenyl)quinazolin-4-one
CID 175460263
[3-benzyl-2-[4-(butylamino)phenyl]-5-chloroimidazol-4-yl]methanol
CID 13074103
2-[5-chloro-3-[(4-chlorophenyl)methyl]-2-(2-nitrophenyl)imidazol-4-yl]acetic acid
CID 139725987
2-[3-benzyl-5-chloro-2-(2-nitrophenyl)imidazol-4-yl]acetic acid
CID 12822133
2-[2-(4-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid
CID 13075859
5-hydroxy-1-[(4-nitrophenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide
CID 137108296
2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol
CID 82149303
2-[3-benzyl-5-chloro-2-(4-fluorophenyl)imidazol-4-yl]acetonitrile
CID 139725996
2-methyl-3-[(4-nitrophenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 23411098

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol?
The IUPAC name of [5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol (CID 15099361) is [5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol?
The canonical SMILES for [5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol is O=[N+]([O-])c1ccc(Cn2c(-c3ccccc3)nc(Cl)c2CO)cc1.
What is the InChIKey of [5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol?
The InChIKey is YQLWMABCNMGLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c18-16-15(11-22)20(17(19-16)13-4-2-1-3-5-13)10-12-6-8-14(9-7-12)21(23)24/h1-9,22H,10-11H2.
What are the key properties of [5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol?
[5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol has a molecular weight of 343.77 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol is sourced from PubChem (CID 15099361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).