[1-[(2-chloro-5-nitrophenyl)methyl]benzimidazol-2-yl]methanol

C15H12ClN3O3 — CID 118108475

IUPAC[1-[(2-chloro-5-nitrophenyl)methyl]benzimidazol-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(Cl)c(Cn2c(CO)nc3ccccc32)c1
InChIInChI=1S/C15H12ClN3O3/c16-12-6-5-11(19(21)22)7-10(12)8-18-14-4-2-1-3-13(14)17-15(18)9-20/h1-7,20H,8-9H2
InChIKeyFKUDHLNLPOFLDU-UHFFFAOYSA-N
MW317.73 g/mol
LogP3.14
Rot. Bonds4

About [1-[(2-chloro-5-nitrophenyl)methyl]benzimidazol-2-yl]methanol

[1-[(2-chloro-5-nitrophenyl)methyl]benzimidazol-2-yl]methanol (PubChem CID 118108475) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is [1-[(2-chloro-5-nitrophenyl)methyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-5-nitrophenyl)methyl]benzimidazol-2-yl]methanol
PubChem CID118108475
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC Name[1-[(2-chloro-5-nitrophenyl)methyl]benzimidazol-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(Cl)c(Cn2c(CO)nc3ccccc32)c1
InChIInChI=1S/C15H12ClN3O3/c16-12-6-5-11(19(21)22)7-10(12)8-18-14-4-2-1-3-13(14)17-15(18)9-20/h1-7,20H,8-9H2
InChIKeyFKUDHLNLPOFLDU-UHFFFAOYSA-N
XLogP3.14
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-5-nitrophenyl)methyl]benzimidazol-2-yl]methanol?
The IUPAC name of [1-[(2-chloro-5-nitrophenyl)methyl]benzimidazol-2-yl]methanol (CID 118108475) is [1-[(2-chloro-5-nitrophenyl)methyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[(2-chloro-5-nitrophenyl)methyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[(2-chloro-5-nitrophenyl)methyl]benzimidazol-2-yl]methanol is O=[N+]([O-])c1ccc(Cl)c(Cn2c(CO)nc3ccccc32)c1.
What is the InChIKey of [1-[(2-chloro-5-nitrophenyl)methyl]benzimidazol-2-yl]methanol?
The InChIKey is FKUDHLNLPOFLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c16-12-6-5-11(19(21)22)7-10(12)8-18-14-4-2-1-3-13(14)17-15(18)9-20/h1-7,20H,8-9H2.
What are the key properties of [1-[(2-chloro-5-nitrophenyl)methyl]benzimidazol-2-yl]methanol?
[1-[(2-chloro-5-nitrophenyl)methyl]benzimidazol-2-yl]methanol has a molecular weight of 317.73 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-5-nitrophenyl)methyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 118108475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).