3-(2-chlorophenyl)-5-(1-prop-2-ynylbenzimidazol-2-yl)-1,2-oxazole

C19H12ClN3O — CID 167713567

IUPAC3-(2-chlorophenyl)-5-(1-prop-2-ynylbenzimidazol-2-yl)-1,2-oxazole
SMILESC#CCn1c(-c2cc(-c3ccccc3Cl)no2)nc2ccccc21
InChIInChI=1S/C19H12ClN3O/c1-2-11-23-17-10-6-5-9-15(17)21-19(23)18-12-16(22-24-18)13-7-3-4-8-14(13)20/h1,3-10,12H,11H2
InChIKeyCQZKYXZLUDQAAM-UHFFFAOYSA-N
MW333.78 g/mol
LogP4.64
Rot. Bonds3

About 3-(2-chlorophenyl)-5-(1-prop-2-ynylbenzimidazol-2-yl)-1,2-oxazole

3-(2-chlorophenyl)-5-(1-prop-2-ynylbenzimidazol-2-yl)-1,2-oxazole (PubChem CID 167713567) has the molecular formula C19H12ClN3O and a molecular weight of 333.78 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(1-prop-2-ynylbenzimidazol-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(1-prop-2-ynylbenzimidazol-2-yl)-1,2-oxazole
PubChem CID167713567
Molecular FormulaC19H12ClN3O
Molecular Weight333.78 g/mol
Exact Mass333.07
IUPAC Name3-(2-chlorophenyl)-5-(1-prop-2-ynylbenzimidazol-2-yl)-1,2-oxazole
SMILESC#CCn1c(-c2cc(-c3ccccc3Cl)no2)nc2ccccc21
InChIInChI=1S/C19H12ClN3O/c1-2-11-23-17-10-6-5-9-15(17)21-19(23)18-12-16(22-24-18)13-7-3-4-8-14(13)20/h1,3-10,12H,11H2
InChIKeyCQZKYXZLUDQAAM-UHFFFAOYSA-N
XLogP4.64
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(1-prop-2-ynylbenzimidazol-2-yl)-1,2-oxazole?
The IUPAC name of 3-(2-chlorophenyl)-5-(1-prop-2-ynylbenzimidazol-2-yl)-1,2-oxazole (CID 167713567) is 3-(2-chlorophenyl)-5-(1-prop-2-ynylbenzimidazol-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(1-prop-2-ynylbenzimidazol-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-(1-prop-2-ynylbenzimidazol-2-yl)-1,2-oxazole is C#CCn1c(-c2cc(-c3ccccc3Cl)no2)nc2ccccc21.
What is the InChIKey of 3-(2-chlorophenyl)-5-(1-prop-2-ynylbenzimidazol-2-yl)-1,2-oxazole?
The InChIKey is CQZKYXZLUDQAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O/c1-2-11-23-17-10-6-5-9-15(17)21-19(23)18-12-16(22-24-18)13-7-3-4-8-14(13)20/h1,3-10,12H,11H2.
What are the key properties of 3-(2-chlorophenyl)-5-(1-prop-2-ynylbenzimidazol-2-yl)-1,2-oxazole?
3-(2-chlorophenyl)-5-(1-prop-2-ynylbenzimidazol-2-yl)-1,2-oxazole has a molecular weight of 333.78 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(1-prop-2-ynylbenzimidazol-2-yl)-1,2-oxazole is sourced from PubChem (CID 167713567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).