1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole

C14H10ClN3O2 — CID 43350320

IUPAC1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole
SMILESO=[N+]([O-])c1cc(Cn2cnc3ccccc32)ccc1Cl
InChIInChI=1S/C14H10ClN3O2/c15-11-6-5-10(7-14(11)18(19)20)8-17-9-16-12-3-1-2-4-13(12)17/h1-7,9H,8H2
InChIKeyFNWURPXYNXZSFE-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.65
Rot. Bonds3

About 1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole

1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole (PubChem CID 43350320) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole
PubChem CID43350320
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole
SMILESO=[N+]([O-])c1cc(Cn2cnc3ccccc32)ccc1Cl
InChIInChI=1S/C14H10ClN3O2/c15-11-6-5-10(7-14(11)18(19)20)8-17-9-16-12-3-1-2-4-13(12)17/h1-7,9H,8H2
InChIKeyFNWURPXYNXZSFE-UHFFFAOYSA-N
XLogP3.65
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-[(3-ethoxy-4-nitrophenyl)methyl]benzimidazole
CID 100631628
5-(benzimidazol-1-ylmethyl)-2-chloroaniline
CID 43169019
2-(4-chloro-3-nitrophenyl)-1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole
CID 17385297
1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
2-[(4-chloro-3-nitrophenyl)methyl]isoindole-1,3-dione
CID 18621850
5-bromo-3-[(4-chloro-3-nitrophenyl)methyl]pyrimidin-4-one
CID 66308691
1-[(4-chloro-3-nitrophenyl)methyl]-2-propan-2-ylimidazole
CID 43350346
[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine
CID 102663221
2-[(4-chloro-3-nitrophenyl)methyl]pyridazin-3-one
CID 62849253
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzimidazole
CID 66613922
1-[(3-phenylphenyl)methyl]benzimidazole
CID 53320325

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole?
The IUPAC name of 1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole (CID 43350320) is 1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole.
What is the SMILES notation for 1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole?
The canonical SMILES for 1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole is O=[N+]([O-])c1cc(Cn2cnc3ccccc32)ccc1Cl.
What is the InChIKey of 1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole?
The InChIKey is FNWURPXYNXZSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-11-6-5-10(7-14(11)18(19)20)8-17-9-16-12-3-1-2-4-13(12)17/h1-7,9H,8H2.
What are the key properties of 1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole?
1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole has a molecular weight of 287.71 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-nitrophenyl)methyl]benzimidazole is sourced from PubChem (CID 43350320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).